SCHEMBL6615538

SCHEMBL6615538

CCCn1nc(-c2cc(NC(=O)c3ccco3)ccc2O)cc1C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.48
▸ NPC1 O15118 11/20 0.48
▸ MAPT P10636 5/20 0.46
▸ ALDH1A1 P00352 7/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.43
▸ TP53 P04637 6/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CASP1 P29466 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
SCHEMBL6616979 0.96 RAB9A (0.47) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL6618107 0.91 RAB9A (0.48) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL6619931 0.89 MAPT (0.46) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL6621939 0.88 MAPT (0.48) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL6615291 0.88 MAPT (0.46) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL6617632 0.85 MAPT (0.47) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL6618189 0.84 RAB9A (0.47) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL6618509 0.84 MAPT (0.44) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL6615018 0.83 NPC1 (0.43) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL6615112 0.83 ALDH1A1 (0.43) RAB9ANPC1MAPTALDH1A1KMT2A

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 4 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
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 disclosed
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 disclosed
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