SCHEMBL16095249

SCHEMBL16095249

Cc1ccccc1CCCc1nc(-c2cc(C(=O)O)ccn2)c[nH]1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 14/20 0.57
▸ KDM4A O75164 8/20 0.57
▸ KDM5B Q9UGL1 8/20 0.57
▸ KDM5A P29375 7/20 0.57
▸ KDM5C P41229 6/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ KDM2A Q9Y2K7 4/20 0.45
▸ KDM3A Q9Y4C1 4/20 0.45
▸ KDM6B O15054 3/20 0.45
▸ KDM4B O94953 1/20 0.43
▸ NPC1 O15118 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ JMJD6 Q6NYC1 1/20 0.39
▸ P4HA1 P13674 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
SCHEMBL16095193 0.94 KDM4C (0.59) KDM4CKDM4AKDM5BKDM5AKDM5C
SCHEMBL16094928 0.85 KDM5C (0.55) KDM4CKDM4AKDM5BKDM5AKDM5C
SCHEMBL16094521 0.81 KDM5B (0.59) KDM4CKDM4AKDM5BKDM5AKDM5C
SCHEMBL16095566 0.80 KDM4C (0.61) KDM4CKDM4AKDM5BKDM5AKDM5C
SCHEMBL16094800 0.80 KDM4C (0.61) KDM4CKDM4AKDM5BKDM5AKDM5C
SCHEMBL16096062 0.79 KDM4C (0.54) KDM4CKDM4AKDM5BKDM5AKDM5C
SCHEMBL16095770 0.78 KDM5B (0.45) KDM4CKDM4AKDM5BKDM5AKDM5C
SCHEMBL16102028 0.78 KDM4C (0.44) KDM4CKDM4AKDM5BKDM5AKDM5C
SCHEMBL16095768 0.78 KDM4C (0.44) KDM4CKDM4AKDM5BKDM5AKDM5C
SCHEMBL16095232 0.78 KDM4C (0.48) KDM4CKDM5BKDM5A

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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