SCHEMBL6618868

SCHEMBL6618868

CCNC(=O)n1nc(-c2cc(NC(=O)c3ccco3)ccc2O)cc1C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.45
▸ NPC1 O15118 11/20 0.45
▸ MAPT P10636 6/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ MAPK14 Q16539 1/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ TP53 P04637 5/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 4/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39

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
SCHEMBL6619885 0.94 RAB9A (0.43) RAB9ANPC1MAPTALDH1A1MAPK14
SCHEMBL6618222 0.91 RAB9A (0.43) RAB9ANPC1MAPTALDH1A1MAPK14
SCHEMBL6618131 0.91 MAPT (0.45) RAB9ANPC1MAPTALDH1A1MAPK14
SCHEMBL6616989 0.90 MAPT (0.43) RAB9ANPC1MAPTALDH1A1MAPK14
SCHEMBL6615568 0.90 MAPT (0.43) RAB9ANPC1MAPTALDH1A1MAPK14
SCHEMBL6621559 0.89 RAB9A (0.45) RAB9ANPC1MAPTALDH1A1MAPK14
SCHEMBL6616476 0.86 MAPT (0.44) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6603518 0.86 MAPT (0.45) RAB9ANPC1MAPTALDH1A1MAPK14
SCHEMBL6617223 0.86 MAPT (0.40) RAB9ANPC1MAPTALDH1A1MAPK14
SCHEMBL6615018 0.85 NPC1 (0.43) RAB9ANPC1MAPTALDH1A1MAPK14

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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