SCHEMBL17604536

SCHEMBL17604536

COc1ccc(C(Cl)c2[nH]nnc2-c2ccnc(-c3nc[nH]c3Cc3ccc(F)cc3OCC3CC3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PHF8 Q9UPP1 4/20 0.39
▸ KDM2B Q8NHM5 2/20 0.39
▸ KDM4C Q9H3R0 3/20 0.38
▸ KDM5A P29375 2/20 0.38
▸ PDE4D Q08499 2/20 0.32

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
SCHEMBL17604525 0.92 PHF8 (0.39) PHF8KDM2BKDM4CKDM5APDE4D
SCHEMBL17604658 0.85 KDM4C (0.43) PHF8KDM2BKDM4CKDM5APDE4D
SCHEMBL17604561 0.80 PHF8 (0.64) PHF8KDM2BKDM4CKDM5A
SCHEMBL16095134 0.76 KDM4C (0.60) PHF8KDM2BKDM4CKDM5A
SCHEMBL17604552 0.73 PHF8 (0.63) PHF8KDM2BKDM4CKDM5A
SCHEMBL17604537 0.72 KDM4C (0.40) PHF8KDM2BKDM4CKDM5APDE4D
SCHEMBL17604578 0.72 KDM4C (0.40) PHF8KDM2BKDM4CKDM5APDE4D
SCHEMBL16095598 0.71 KDM4C (0.56) PHF8KDM2BKDM4CKDM5APDE4D
SCHEMBL16102670 0.67 KDM4C (0.61) KDM2BKDM4CKDM5A
SCHEMBL17621559 0.64 KDM4C (0.75) PHF8KDM2BKDM4CKDM5A

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-3193881-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2017-07-26 — — EP disclosed
WO-2016044342-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2016-03-24 — — WO disclosed
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