SCHEMBL6683281

SCHEMBL6683281

O=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c(O)c1)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ PPARG P37231 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CRACR2A Q9BSW2 1/20 0.37
▸ CASP3 P42574 2/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ USP2 O75604 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
SCHEMBL6616448 0.97 EPHX2 (0.40) MAPTEPHX2PKMRAB9ACNR1
SCHEMBL6617490 0.93 PPARG (0.41) MAPTPKMCNR1ROCK2PPARG
SCHEMBL6618795 0.92 HRH3 (0.40) MAPTEPHX2PKMRAB9ACNR1
SCHEMBL6618658 0.91 PPARG (0.44) MAPTPKMRAB9ACNR1ROCK2
SCHEMBL6604438 0.91 MAPT (0.44) MAPTRAB9AKDRALDH1A1HTT
SCHEMBL6614980 0.90 CNR1 (0.42) MAPTEPHX2PKMCNR1ROCK2
SCHEMBL6603314 0.89 PPARG (0.40) MAPTPKMRAB9ACNR1ROCK2
SCHEMBL6603129 0.89 TP53 (0.41) MAPTPKMRAB9ACNR1ROCK2
SCHEMBL6621094 0.88 PPARG (0.43) MAPTPKMRAB9ACNR1ROCK2
SCHEMBL6617385 0.88 LMNA (0.39) MAPTPKMCRACR2ACASP3CHRM5

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 disclosed
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 disclosed
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