SCHEMBL23909596

SCHEMBL23909596

O=[N+]([O-])c1ccccc1OCI

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.72
NPC1 O15118 3/20 0.72
RECQL P46063 2/20 0.72
ALDH1A1 P00352 6/20 0.58
TDP1 Q9NUW8 2/20 0.58
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
HTT P42858 1/20 0.57
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
POLB P06746 2/20 0.50
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 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
SCHEMBL9187561 0.84 NPC1 (1.00) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL9642715 0.82 NPC1 (0.89) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL13498219 0.82 NPC1 (0.50) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL2307746 0.81 RAB9A (0.72) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL10501139 0.81 RAB9A (0.72) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL30159613 0.81 ALDH1A1 (0.79) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL2461884 0.81 RAB9A (0.72) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL11693266 0.81 RAB9A (0.72) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL11323684 0.81 RAB9A (0.72) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL2436211 0.81 ALDH1A1 (0.79) RAB9ANPC1RECQLALDH1A1TDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103649263-B Direct trifluoromethylation using trifluoromethane 南加州大学 2016-06-29 CN claimed
CN-103649263-A Direct trifluoromethylation using trifluoromethane UNIV SOUTHERN CALIFORNIA 2014-03-19 CN claimed
US-11859241-B2 Compositions and methods for pairwise sequencing ELEMENT BIOSCIENCES, INC. (US) 2024-01-02 US disclosed
US-20230203564-A1 COMPOSITIONS AND METHODS FOR PAIRWISE SEQUENCING ELEMENT BIOSCIENCES, INC. 2023-06-29 US disclosed
US-20210318294-A1 MULTIVALENT BINDING COMPOSITION FOR NUCLEIC ACID ANALYSIS ELEMENT BIOSCIENCES, INC. 2021-10-14 US disclosed
CN-103649263-B Direct trifluoromethylation using trifluoromethane 南加州大学 2016-06-29 CN disclosed
CN-103649263-A Direct trifluoromethylation using trifluoromethane UNIV SOUTHERN CALIFORNIA 2014-03-19 CN disclosed