SCHEMBL6622320

SCHEMBL6622320

O=C(Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCc3cccc(F)c3)n2)c1)c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KISS1R Q969F8 11/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ MAPK14 Q16539 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.38
▸ SIRT3 Q9NTG7 1/20 0.38

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
SCHEMBL6617223 0.97 MAPT (0.40) MAPTMEN1KMT2ALMNATP53
SCHEMBL6617910 0.88 MEN1 (0.48) MAPTMEN1KMT2ALMNATP53
SCHEMBL6619863 0.88 RAB9A (0.43) MAPTMEN1KMT2ALMNATP53
SCHEMBL6603518 0.88 MAPT (0.45) MAPTMEN1KMT2ALMNATP53
SCHEMBL6618131 0.88 MAPT (0.45) MAPTMEN1KMT2ALMNATP53
SCHEMBL6617954 0.88 EPHX2 (0.40) —
SCHEMBL6616846 0.86 NAMPT (0.42) MAPTLMNATP53SMN1; SMN2
SCHEMBL6617030 0.86 MEN1 (0.49) MAPTMEN1KMT2ALMNATP53
SCHEMBL6616292 0.86 RAB9A (0.44) MAPTMEN1KMT2ALMNATP53
SCHEMBL6616321 0.86 CHRNE (0.38) LMNAMAPK1RAB9A

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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