SCHEMBL16095265

SCHEMBL16095265

Clc1cccc(Cc2nc(-c3cc(-c4nn[nH]n4)ccn3)c[nH]2)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 13/20 0.62
▸ KDM5B Q9UGL1 3/20 0.53
▸ KDM4A O75164 1/20 0.53
▸ IDO1 P14902 1/20 0.49
▸ KDM5A P29375 4/20 0.46
▸ KDM2B Q8NHM5 1/20 0.43
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ CXCR3 P49682 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL16095179 0.89 KDM4C (0.61) KDM4CKDM5BKDM4AKDM5AKDM2B
SCHEMBL16095163 0.83 KDM4C (0.62) KDM4CKDM5BKDM5AKDM2BMRGPRX4
SCHEMBL16095912 0.82 KDM4C (0.61) KDM4CKDM5BKDM5AKDM2B
SCHEMBL16095348 0.80 KDM4C (0.63) KDM4CKDM5BKDM4AKDM5AKDM2B
SCHEMBL16095072 0.79 KDM4C (0.65) KDM4CKDM5BKDM5AMRGPRX4
SCHEMBL16033236 0.76 KDM4C (1.00) KDM4CKDM5BKDM4AKDM5AKDM2B
SCHEMBL16095166 0.76 PARP1 (0.45) KDM4CKDM5BKDM4A
SCHEMBL16095409 0.76 KDM4C (0.65) KDM4CKDM5BKDM5AKDM2B
SCHEMBL16095540 0.75 GRM5 (0.43) MRGPRX4
SCHEMBL19628752 0.75 KDM4C (0.81) KDM4CKDM5BKDM4AKDM5AKDM2B

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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