SCHEMBL6617223

SCHEMBL6617223

O=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCc3cccc(F)c3)n2)c1)c1ccco1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KISS1R Q969F8 10/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ ATM Q13315 1/20 0.37

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
SCHEMBL6622320 0.97 MAPT (0.42) MAPTRAB9AALDH1A1KISS1RNPC1
SCHEMBL6618131 0.90 MAPT (0.45) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6617188 0.89 RAB9A (0.41) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6617603 0.88 CHRNE (0.45) MAPTMEN1LMNAKMT2A
SCHEMBL6615977 0.87 LMNA (0.42) MAPTMEN1LMNATP53KMT2A
SCHEMBL6618868 0.86 RAB9A (0.45) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6613581 0.86 NPC1 (0.47) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6617910 0.85 MEN1 (0.48) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6619863 0.85 RAB9A (0.43) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6603518 0.85 MAPT (0.45) MAPTRAB9AALDH1A1NPC1SMN1; 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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