SCHEMBL6618842

SCHEMBL6618842

CCCNC(=O)n1nc(-c2ccc(NC(=O)c3ccco3)cc2O)cc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 14/20 0.42
▸ NPC1 O15118 14/20 0.42
▸ TP53 P04637 8/20 0.42
▸ SMN1; SMN2 Q16637 8/20 0.42
▸ KMT2A Q03164 7/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ MAPK1 P28482 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ LMNA P02545 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ CASP1 P29466 1/20 0.40

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
SCHEMBL6618222 0.93 RAB9A (0.43) RAB9ANPC1TP53SMN1; SMN2KMT2A
SCHEMBL6619885 0.92 RAB9A (0.43) RAB9ANPC1TP53SMN1; SMN2KMT2A
SCHEMBL6616292 0.89 RAB9A (0.44) RAB9ANPC1TP53SMN1; SMN2KMT2A
SCHEMBL6621868 0.87 PKM (0.44) RAB9ANPC1TP53SMN1; SMN2KMT2A
SCHEMBL6618457 0.86 MAPK14 (0.43) KMT2AMEN1MAPK14
SCHEMBL6619084 0.86 RAB9A (0.45) RAB9ANPC1TP53SMN1; SMN2KMT2A
SCHEMBL6618868 0.85 RAB9A (0.45) RAB9ANPC1TP53SMN1; SMN2KMT2A
SCHEMBL6617319 0.84 RAB9A (0.40) RAB9ANPC1TP53SMN1; SMN2KMT2A
SCHEMBL6617639 0.84 RAB9A (0.41) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL6618025 0.83 CHRM5 (0.42) RAB9ANPC1TP53ALDH1A1PKM

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
Send feedback