SCHEMBL6621868

SCHEMBL6621868

C=CCNC(=O)n1nc(-c2ccc(NC(=O)c3ccco3)cc2O)cc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.44
▸ RAB9A P51151 9/20 0.41
▸ NPC1 O15118 8/20 0.41
▸ SIRT6 Q8N6T7 2/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ TP53 P04637 4/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 5/20 0.40
▸ LMNA P02545 3/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPK14 Q16539 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
SCHEMBL6616989 0.92 MAPT (0.43) PKMRAB9ANPC1SIRT6MEN1
SCHEMBL6618222 0.89 RAB9A (0.43) PKMRAB9ANPC1SIRT6MEN1
SCHEMBL6616292 0.88 RAB9A (0.44) RAB9ANPC1SIRT6MEN1KMT2A
SCHEMBL6618842 0.87 RAB9A (0.42) PKMRAB9ANPC1SIRT6MEN1
SCHEMBL6617014 0.86 KDM4C (0.41) MEN1KMT2AMAPK14
SCHEMBL6619084 0.83 RAB9A (0.45) PKMRAB9ANPC1SIRT6MEN1
SCHEMBL6615863 0.83 RAB9A (0.40) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL6615076 0.82 RAB9A (0.39) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL6617830 0.82 RAB9A (0.43) PKMRAB9ANPC1SIRT6MEN1
SCHEMBL6617161 0.81 ALDH1A1 (0.42) KMT2AALDH1A1HPGD

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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