SCHEMBL16102665

SCHEMBL16102665

CCCCOc1cc(F)ccc1-c1[nH]c(C)nc1-c1cc(-c2nn[nH]n2)ccn1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 14/20 0.68
▸ KDM5A P29375 2/20 0.52
▸ KDM2B Q8NHM5 2/20 0.44
▸ CYP19A1 P11511 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GCGR P47871 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.38
▸ PHF8 Q9UPP1 1/20 0.38
▸ ADH5 P11766 1/20 0.38
▸ MAPK13 O15264 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37

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
SCHEMBL16095130 0.87 KDM4C (0.69) KDM4CKDM5AKDM2BKDM5BPHF8
SCHEMBL16095137 0.86 KDM4C (0.69) KDM4CKDM5AKDM2B
SCHEMBL16033902 0.81 KDM4C (1.00) KDM4CKDM5AKDM2BPHF8
SCHEMBL16102461 0.79 KDM4C (0.42) KDM4CGCGRPHF8MAPK13MAPK12
SCHEMBL16102670 0.76 KDM4C (0.61) KDM4CKDM5AKDM2BCYP19A1CYP2C9
SCHEMBL16095042 0.74 KDM4C (0.67) KDM4CKDM5AKDM2BKDM5BPHF8
SCHEMBL16095526 0.72 KDM4C (0.69) KDM4CKDM2B
SCHEMBL16034150 0.68 KDM4C (1.00) KDM4CKDM5AKDM2BPHF8
SCHEMBL16033749 0.68 KDM4C (1.00) KDM4CKDM5AKDM2BPHF8
SCHEMBL16095596 0.67 KDM4C (0.65) KDM4CKDM5AKDM2BCYP2C9KDM5B

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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