SCHEMBL6617017

SCHEMBL6617017

CCOc1ccc(C(=O)Nc2ccc(O)c(-c3cc(C4CCC4)n(C(=O)NC(C)C)n3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RPS6KA2 Q15349 1/20 0.40

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
SCHEMBL6616697 0.91 KMT2A (0.44) KMT2AMEN1MAPTALDH1A1ALOX15
SCHEMBL6617914 0.91 KMT2A (0.47) KMT2AMEN1MAPTALDH1A1ALOX15
SCHEMBL6615591 0.90 RAB9A (0.39) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6619006 0.85 CRACR2A (0.46) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL6619183 0.85 NAMPT (0.40) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL6616031 0.85 RAB9A (0.40) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6617816 0.83 KMT2A (0.52) KMT2AMEN1MAPTALDH1A1ALOX15
SCHEMBL6615742 0.83 CRACR2A (0.44) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL6617916 0.83 NAMPT (0.44) KMT2AMEN1MAPTALDH1A1HSD17B10
SCHEMBL6615885 0.83 NPC1 (0.47) KMT2AMEN1MAPTALDH1A1NPC1

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-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
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