SCHEMBL6619863

SCHEMBL6619863

O=C(Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCc3ccccc3F)n2)c1)c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 4/20 0.42
▸ NPC1 O15118 6/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ TP53 P04637 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PKM P14618 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CRACR2A Q9BSW2 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 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
SCHEMBL6617188 0.97 RAB9A (0.41) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL6614679 0.91 MAPT (0.42) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL6622320 0.88 MAPT (0.42) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL6618131 0.87 MAPT (0.45) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL6603518 0.86 MAPT (0.45) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL6617223 0.85 MAPT (0.40) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL6616292 0.85 RAB9A (0.44) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL6616726 0.85 SLC1A2 (0.38) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL6617910 0.85 MEN1 (0.48) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL6617030 0.84 MEN1 (0.49) RAB9AALDH1A1MAPTNPC1SMN1; 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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