SCHEMBL6618189

SCHEMBL6618189

CCn1nc(-c2ccc(NC(=O)c3ccco3)cc2O)cc1C1CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 16/20 0.47
▸ NPC1 O15118 13/20 0.47
▸ TP53 P04637 7/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MAPT P10636 6/20 0.46
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ NFKB1 P19838 2/20 0.45
▸ NFKB2 Q00653 2/20 0.45
▸ RELA Q04206 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 2/20 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
SCHEMBL6619931 0.95 MAPT (0.46) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL6618107 0.94 RAB9A (0.48) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL6619775 0.91 RAB9A (0.46) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL6617830 0.90 RAB9A (0.43) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL6616979 0.88 RAB9A (0.47) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL6616612 0.87 RAB9A (0.47) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL6617632 0.85 MAPT (0.47) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL6618509 0.85 MAPT (0.44) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL6615538 0.84 RAB9A (0.48) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL6618222 0.83 RAB9A (0.43) RAB9ANPC1TP53SMN1; SMN2MEN1

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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