SCHEMBL6616612

SCHEMBL6616612

CC(C)n1nc(-c2ccc(NC(=O)c3ccco3)cc2O)cc1C1CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 14/20 0.47
▸ NPC1 O15118 11/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ SMN1; SMN2 Q16637 7/20 0.45
▸ TP53 P04637 6/20 0.45
▸ MAPT P10636 5/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ PKM P14618 2/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6618189 0.87 RAB9A (0.47) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL6618107 0.84 RAB9A (0.48) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL6619084 0.84 RAB9A (0.45) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL6619775 0.83 RAB9A (0.46) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL6617830 0.83 RAB9A (0.43) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL6619931 0.83 MAPT (0.46) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL6621559 0.81 RAB9A (0.45) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL6616979 0.79 RAB9A (0.47) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL6618222 0.79 RAB9A (0.43) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL6617632 0.78 MAPT (0.47) RAB9ANPC1ALDH1A1KMT2AMEN1

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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