SCHEMBL5147056

SCHEMBL5147056

COc1cc(NC(=O)c2cccc(F)c2F)ccc1-c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ NPC1 O15118 5/20 0.55
▸ RAB9A P51151 5/20 0.55
▸ MAPT P10636 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ GRM5 P41594 1/20 0.53
▸ GRM4 Q14833 3/20 0.48
▸ HDAC8 Q9BY41 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL5669747 0.85 FADS1 (0.51) KMT2ANPC1RAB9AMAPTHPGD
SCHEMBL1825721 0.83 ALDH1A1 (0.57) KDM4EKMT2AALDH1A1NPC1RAB9A
SCHEMBL15778764 0.79 FADS1 (0.64) KMT2AALDH1A1NPC1RAB9AMAPT
SCHEMBL1824116 0.74 RAB9A (0.52) KDM4EKMT2AALDH1A1NPC1RAB9A
SCHEMBL1822638 0.74 STIM1 (0.67) KDM4EKMT2ANPC1RAB9AMAPT
SCHEMBL1825867 0.74 STIM1 (0.53) KDM4EKMT2AALDH1A1NPC1RAB9A
SCHEMBL1826092 0.74 IL2 (0.58) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2595461 0.73 HTT (0.63) KDM4EKMT2AALDH1A1MAPTPOLB
SCHEMBL6815694 0.73 KMT2A (0.64) KDM4EKMT2AALDH1A1NPC1RAB9A
SCHEMBL6295710 0.73 GAA (0.74) KDM4EKMT2AALDH1A1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651232-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2007-06-06 — — EP disclosed
EP-1651232-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2006-05-03 — — EP disclosed
WO-2005009539-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 — — WO disclosed
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