SCHEMBL6616476

SCHEMBL6616476

O=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NC3CC3)n2)c1)c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ RAB9A P51151 9/20 0.44
▸ NPC1 O15118 8/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ SMN1; SMN2 Q16637 7/20 0.40
▸ TP53 P04637 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ SIRT6 Q8N6T7 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ HPGD P15428 4/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL6615838 0.96 MAPT (0.46) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6621559 0.87 RAB9A (0.45) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6618868 0.86 RAB9A (0.45) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6618131 0.86 MAPT (0.45) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6619885 0.85 RAB9A (0.43) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6617646 0.84 KDM4C (0.49) RAB9ANPC1KMT2AMEN1
SCHEMBL6616989 0.84 MAPT (0.43) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6615568 0.84 MAPT (0.43) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6617223 0.84 MAPT (0.40) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6617188 0.83 RAB9A (0.41) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2

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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