SCHEMBL9820311

SCHEMBL9820311

O=[N+]([O-])c1ccc(NCCCO)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.65
GLA P06280 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
HPGD P15428 1/20 0.61
ALOX12 P18054 1/20 0.61
MAPT P10636 11/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
GAA P10253 3/20 0.54
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7938661 0.95 ALDH1A1 (0.63) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL4953010 0.93 ALDH1A1 (0.61) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL6673456 0.93 ALDH1A1 (0.61) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL1024700 0.89 MAPT (0.61) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL4951837 0.89 ALDH1A1 (0.73) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL11022003 0.87 MAPT (0.59) ALDH1A1GLASMN1; SMN2HPGDALOX12
Ammonia Solution, Strong SCHEMBL27496286 0.87 ABCG2 (0.61) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL14117517 0.87 ALDH1A1 (0.66) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL18549022 0.87 ALDH1A1 (0.66) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL11040284 0.85 ALDH1A1 (0.57) ALDH1A1GLASMN1; SMN2HPGDALOX12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041365-B1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS BV (NL) 2018-04-04 EP claimed
EP-3041365-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2016-07-13 EP claimed
US-20160183564-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RUMINANTS, AND OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2016-06-30 US claimed
EP-2830434-B1 USE OF PARA NITRO AMINO DERIVATIVES IN FEED FOR REDUCING ME-THANE EMISSION IN RUMINANTS DSM IP ASSETS BV (NL) 2016-03-16 EP claimed
US-20150064305-A1 USE OF PARA NITRO AMINO DERIVATIVES IN FEED FOR REDUCING METH-ANE EMISSION IN RUMINANTS DSM IP ASSETS B.V. (NL) 2015-03-05 US claimed
WO-2015018726-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2015-02-12 WO claimed
EP-2830434-A1 USE OF PARA NITRO AMINO DERIVATIVES IN FEED FOR REDUCING ME-THANE EMISSION IN RUMINANTS DSM IP Assets B.V. (NL) 2015-02-04 EP claimed
WO-2013144786-A1 USE OF PARA NITRO AMINO DERIVATIVES IN FEED FOR REDUCING ME-THANE EMISSION IN RUMINANTS DSM IP ASSETS B.V. (NL) 2013-10-03 WO claimed
EP-2644038-A1 Use of para nitro amino derivatives in feed for reducing meth-ane emission in ruminants DSM IP Assets B.V. (NL) 2013-10-02 EP claimed
EP-0303826-B1 SUBSTITUTED 2-NITRO METAPHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING KERATINOUS FIBRES AND ESPECIALLY HUMAN HAIR L'OREAL (FR) 1991-02-27 EP claimed
EP-0303826-A1 Substituted 2-nitro metaphenylene diamines, process for their preparation and their use in dyeing keratinous fibres and especially human hair L'OREAL (FR) 1989-02-22 EP claimed
EP-3041365-B1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS BV (NL) 2018-04-04 EP disclosed
EP-3041365-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2016-07-13 EP disclosed
US-20160183564-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RUMINANTS, AND OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2016-06-30 US disclosed
EP-2830434-B1 USE OF PARA NITRO AMINO DERIVATIVES IN FEED FOR REDUCING ME-THANE EMISSION IN RUMINANTS DSM IP ASSETS BV (NL) 2016-03-16 EP disclosed
WO-2013144786-A1 USE OF PARA NITRO AMINO DERIVATIVES IN FEED FOR REDUCING ME-THANE EMISSION IN RUMINANTS DSM IP ASSETS B.V. (NL) 2013-10-03 WO disclosed
WO-2013144786-A1 USE OF PARA NITRO AMINO DERIVATIVES IN FEED FOR REDUCING ME-THANE EMISSION IN RUMINANTS DSM IP ASSETS B.V. (NL) 2013-10-03 WO disclosed
EP-2644038-A1 Use of para nitro amino derivatives in feed for reducing meth-ane emission in ruminants DSM IP Assets B.V. (NL) 2013-10-02 EP disclosed
EP-2644038-A1 Use of para nitro amino derivatives in feed for reducing meth-ane emission in ruminants DSM IP Assets B.V. (NL) 2013-10-02 EP disclosed
US-4175129-A Antiemetic 1-(benzoxazolylalkyl)-piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-20 US disclosed