SCHEMBL16096091

SCHEMBL16096091

COc1ccc(CCc2nc(-c3cc(C(=O)O)ccn3)c[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 8/20 0.48
▸ KDM5C P41229 5/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ KDM6B O15054 3/20 0.47
▸ KDM2A Q9Y2K7 3/20 0.47
▸ KDM3A Q9Y4C1 3/20 0.47
▸ KDM5B Q9UGL1 6/20 0.46
▸ KDM5A P29375 4/20 0.46
▸ KDM2B Q8NHM5 1/20 0.46
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ KDM4A O75164 4/20 0.43
▸ NR3C2 P08235 1/20 0.42

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
SCHEMBL16095566 0.81 KDM4C (0.61) KDM4CKDM5CKDM4EKDM6BKDM2A
SCHEMBL16094928 0.80 KDM5C (0.55) KDM4CKDM5CKDM4EKDM6BKDM2A
SCHEMBL16095741 0.78 KDM4C (0.60) KDM4CKDM5CKDM4EKDM6BKDM2A
SCHEMBL16094521 0.77 KDM5B (0.59) KDM4CKDM5CKDM4EKDM6BKDM2A
SCHEMBL16095193 0.77 KDM4C (0.59) KDM4CKDM5CKDM4EKDM6BKDM2A
SCHEMBL16096062 0.76 KDM4C (0.54) KDM4CKDM5CKDM4EKDM6BKDM2A
SCHEMBL16104961 0.75 KDM5B (0.55) KDM4CKDM5CKDM4EKDM6BKDM2A
SCHEMBL16033607 0.75 KDM5A (0.74) KDM4CKDM5BKDM5AKDM2BKDM4A
SCHEMBL16095331 0.74 KDM2B (0.55) KDM4CKDM5CKDM4EKDM6BKDM2A
SCHEMBL16094800 0.74 KDM4C (0.61) KDM4CKDM5CKDM4EKDM6BKDM2A

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
Send feedback