SCHEMBL16095346

SCHEMBL16095346

O=C(O)c1ccnc(-c2c[nH]c(CCNCc3ccccc3Cl)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 11/20 0.52
▸ KDM5B Q9UGL1 9/20 0.52
▸ KDM5A P29375 7/20 0.52
▸ KDM4E B2RXH2 3/20 0.45
▸ KDM5C P41229 3/20 0.45
▸ KDM4A O75164 7/20 0.43
▸ KDM6B O15054 1/20 0.43
▸ KDM2A Q9Y2K7 1/20 0.43
▸ KDM3A Q9Y4C1 1/20 0.43
▸ KMO O15229 1/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ KDM4B O94953 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39

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
SCHEMBL16095770 0.90 KDM5B (0.45) KDM4CKDM5BKDM5AKDM4EKDM5C
SCHEMBL16095329 0.87 EPHX2 (0.45) KDM4CKDM5BKDM5AKDM4EKDM5C
SCHEMBL17604506 0.85 KDM4C (0.54) KDM4CKDM5BKDM5AKDM4EKDM5C
SCHEMBL16094676 0.81 KDM5A (0.49) KDM4CKDM5BKDM5AKDM4EKDM5C
SCHEMBL16095379 0.79 KDM4C (0.47) KDM4CKDM5BKDM5AKDM5CKDM2A
SCHEMBL16095193 0.78 KDM4C (0.59) KDM4CKDM5BKDM5AKDM4EKDM5C
SCHEMBL16094521 0.78 KDM5B (0.59) KDM4CKDM5BKDM5AKDM4EKDM5C
SCHEMBL16095345 0.77 KDM4C (0.44) KDM4CKDM5BKDM5AKDM4EKDM5C
SCHEMBL16094800 0.77 KDM4C (0.61) KDM4CKDM5BKDM5AKDM4EKDM5C
SCHEMBL16094928 0.76 KDM5C (0.55) KDM4CKDM5BKDM5AKDM4EKDM5C

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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