SCHEMBL11241212

SCHEMBL11241212

Oc1ccccc1CNCCCNCc1ccccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 1.00
CA2 P00918 5/20 1.00
CA9 Q16790 4/20 1.00
TSHR P16473 2/20 1.00
KDM4E B2RXH2 1/20 1.00
HSD17B10 Q99714 1/20 1.00
MPO P05164 10/20 0.81
SLC6A4 P31645 2/20 0.81
CYP2D6 P10635 1/20 0.75
HIF1A Q16665 1/20 0.75
PKM P14618 1/20 0.60

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
SCHEMBL26087471 0.96 CA12 (0.92) CA12CA2CA9TSHRKDM4E
SCHEMBL24435599 0.94 CA12 (1.00) CA12CA2CA9TSHRKDM4E
SCHEMBL11594819 0.94 CA12 (1.00) CA12CA2CA9TSHRKDM4E
SCHEMBL11594154 0.94 CA12 (1.00) CA12CA2CA9TSHRKDM4E
SCHEMBL31532322 0.91 CA12 (1.00) CA12CA2CA9TSHRKDM4E
SCHEMBL2794849 0.91 CA12 (1.00) CA12CA2CA9TSHRKDM4E
SCHEMBL5023181 0.90 CA12 (0.81) CA12CA2CA9TSHRKDM4E
SCHEMBL30586214 0.89 CA12 (0.95) CA12CA2CA9TSHRKDM4E
SCHEMBL30586211 0.89 CA12 (0.95) CA12CA2CA9TSHRKDM4E
SCHEMBL30586212 0.89 CA12 (0.95) CA12CA2CA9TSHRKDM4E

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-103333181-B Cooper-nitrogen complex UNIV HEFEI TECHNOLOGY 2015-07-22 CN disclosed
CN-103333181-A Cooper-nitrogen complex UNIV HEFEI TECHNOLOGY 2013-10-02 CN disclosed
US-4338460-A Process for preparing chelating agents W. R. GRACE & CO. (US) 1982-07-06 US disclosed
US-4225502-A CHELATING AGENTS W. R. GRACE & CO. (US) 1980-09-30 US disclosed
US-4152345-A FOR USE IN PLATING BATHS, HORTICULTURE, STAIN REMOVAL W. R. GRACE & CO. (US) 1979-05-01 US disclosed
US-4129556-A N,N'-BIS-(2-HYDROXYBENZYL)-ALKYLENE-DIAMINES, N,N'-BIS-(2-HYDROXYBENZYL)-ARYLENE-DIAMINES CIBA-GEIGY CORPORATION (US) 1978-12-12 US disclosed
US-4069249-A CHELATING AGENTS W. R. GRACE & CO. (US) 1978-01-17 US disclosed