SCHEMBL16102670

SCHEMBL16102670

CCCCOc1cc(F)ccc1Cc1[nH]cnc1-c1cc(-c2nn[nH]n2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 18/20 0.61
▸ KDM5A P29375 3/20 0.46
▸ CYP19A1 P11511 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM2B Q8NHM5 3/20 0.41
▸ KDM5B Q9UGL1 1/20 0.38

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
SCHEMBL16095134 0.86 KDM4C (0.60) KDM4CKDM5AKDM2B
SCHEMBL16095141 0.85 KDM4C (0.61) KDM4CKDM5AKDM2B
SCHEMBL16033902 0.76 KDM4C (1.00) KDM4CKDM5AKDM2B
SCHEMBL16102665 0.76 KDM4C (0.68) KDM4CKDM5ACYP19A1CYP2C9CYP2C19
SCHEMBL16095046 0.72 KDM4C (0.60) KDM4CKDM5AKDM2BKDM5B
SCHEMBL17604658 0.71 KDM4C (0.43) KDM4CKDM5AKDM2B
SCHEMBL16095534 0.71 KDM4C (0.62) KDM4CKDM2B
SCHEMBL17604536 0.67 PHF8 (0.39) KDM4CKDM5AKDM2B
SCHEMBL17604525 0.67 PHF8 (0.39) KDM4CKDM5AKDM2B
SCHEMBL17604578 0.66 KDM4C (0.40) KDM4CKDM5AKDM2B

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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