SCHEMBL16095792

SCHEMBL16095792

COc1ccc(-c2[nH]c(C)nc2-c2cc(C(=O)O)ccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 13/20 0.58
▸ KDM5B Q9UGL1 7/20 0.58
▸ KDM2B Q8NHM5 6/20 0.58
▸ KDM5A P29375 6/20 0.58
▸ KDM4E B2RXH2 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ KDM5C P41229 2/20 0.46
▸ KDM6B O15054 1/20 0.46
▸ KDM2A Q9Y2K7 1/20 0.46
▸ KDM3A Q9Y4C1 1/20 0.46
▸ CHEK2 O96017 1/20 0.44

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
SCHEMBL16094991 0.89 KDM4C (0.60) KDM4CKDM5BKDM2BKDM5AKDM4E
SCHEMBL16095312 0.82 KDM4C (0.60) KDM4CKDM5BKDM2BKDM5AKDM5C
SCHEMBL29723246 0.80 KDM4C (0.67) KDM4CKDM5BKDM2BKDM5AKDM4E
SCHEMBL28441960 0.80 KDM4C (0.67) KDM4CKDM5BKDM2BKDM5AKDM4E
SCHEMBL16095288 0.78 KMT2A (0.43) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL1179961 0.75 KDM4E (0.60) KDM4CKDM5BKDM2BKDM5AKDM4E
Nitrous Acid SCHEMBL29134647 0.75 KDM4C (0.61) KDM4CKDM5BKDM2BKDM5AKDM4E
SCHEMBL9749306 0.74 HPGD (0.62) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL16034442 0.74 KDM4C (1.00) KDM4CKDM5BKDM2BKDM5AKDM4A
SCHEMBL15676819 0.73 MAPT (0.56) KDM4EMEN1ALDH1A1CYP1A2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969007-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2016-01-20 — — EP disclosed
WO-2014151945-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 — — WO disclosed
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