SCHEMBL6616292

SCHEMBL6616292

O=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3ccccc3)n2)c(O)c1)c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.44
▸ NPC1 O15118 8/20 0.44
▸ SMN1; SMN2 Q16637 7/20 0.44
▸ TP53 P04637 5/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ HPGD P15428 4/20 0.44
▸ MAPK1 P28482 4/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ MAPT P10636 6/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ SIRT6 Q8N6T7 2/20 0.43
▸ LMNA P02545 4/20 0.42
▸ KCNK3 O14649 1/20 0.41
▸ KCNK9 Q9NPC2 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41

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
SCHEMBL6618131 0.92 MAPT (0.45) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL6618222 0.90 RAB9A (0.43) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL6618842 0.89 RAB9A (0.42) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL6603518 0.88 MAPT (0.45) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL6621868 0.88 PKM (0.44) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL6616464 0.88 KDM4C (0.42) MEN1KMT2A
SCHEMBL6617030 0.86 MEN1 (0.49) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL6622320 0.86 MAPT (0.42) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL6617910 0.85 MEN1 (0.48) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL6619863 0.85 RAB9A (0.43) RAB9ANPC1SMN1; SMN2TP53MEN1

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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