SCHEMBL6617816

SCHEMBL6617816

CCOc1ccc(C(=O)Nc2ccc(-c3cc(C4CCCC4)n(C(=O)NC4CC4)n3)c(O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ GAA P10253 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NPC1 O15118 6/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ TP53 P04637 2/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL6619126 0.84 CRACR2A (0.48) KMT2AMEN1LMNAGAAHSD17B10
SCHEMBL6617914 0.84 KMT2A (0.47) KMT2AMEN1MAPTLMNAGAA
SCHEMBL6617017 0.83 KMT2A (0.44) KMT2AMEN1MAPTLMNAGAA
SCHEMBL6618182 0.83 MEN1 (0.43) KMT2AMEN1MAPTLMNANPC1
SCHEMBL6615052 0.83 MEN1 (0.42) KMT2AMEN1ALDH1A1HSD17B10NPC1
SCHEMBL6619907 0.81 KMT2A (0.44) KMT2AMEN1LMNAGAACYP3A4
SCHEMBL6617195 0.81 ACKR3 (0.41) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6617380 0.80 CYP3A4 (0.43) KMT2AMEN1MAPTALDH1A1HSD17B10
SCHEMBL6617471 0.80 AAK1 (0.39) KMT2AMEN1MAPTLMNAGAA
SCHEMBL6617260 0.80 RAB9A (0.48) KMT2AMEN1MAPTLMNAALDH1A1

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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