SCHEMBL16095089

SCHEMBL16095089

O=C(O)c1ccnc(-c2c[nH]c(CCNCC3CCC(F)(F)CC3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 4/20 0.62
▸ KDM5A P29375 3/20 0.62
▸ KDM4C Q9H3R0 7/20 0.42
▸ KDM4E B2RXH2 5/20 0.39
▸ KDM5C P41229 5/20 0.39
▸ KDM2B Q8NHM5 5/20 0.38
▸ KDM2A Q9Y2K7 4/20 0.37
▸ KDM3A Q9Y4C1 4/20 0.37
▸ KDM6B O15054 3/20 0.37
▸ KDM4A O75164 3/20 0.36
▸ LDHA P00338 1/20 0.35
▸ LDHB P07195 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ P4HA1 P13674 1/20 0.35
▸ KDM4B O94953 1/20 0.35

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
SCHEMBL16095432 0.90 KDM5B (0.50) KDM5BKDM5AKDM4CKDM4EKDM5C
SCHEMBL16095088 0.80 KDM5B (0.44) KDM5BKDM5AKDM4CKDM4EKDM5C
SCHEMBL16034024 0.77 KDM5A (1.00) KDM5BKDM5AKDM4CKDM2BKDM4A
SCHEMBL16094676 0.77 KDM5A (0.49) KDM5BKDM5AKDM4CKDM4EKDM5C
SCHEMBL16095431 0.75 KDM5B (0.41) KDM5BKDM5AKDM4CKDM4EKDM5C
SCHEMBL16095346 0.74 KDM4C (0.52) KDM5BKDM5AKDM4CKDM4EKDM5C
SCHEMBL16095770 0.74 KDM5B (0.45) KDM5BKDM5AKDM4CKDM4EKDM5C
SCHEMBL16095834 0.73 KDM4C (0.56) KDM5BKDM5AKDM4CKDM4EKDM5C
SCHEMBL16095329 0.73 EPHX2 (0.45) KDM5BKDM5AKDM4CKDM4EKDM5C
SCHEMBL16094928 0.70 KDM5C (0.55) KDM5BKDM5AKDM4CKDM4EKDM5C

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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