SCHEMBL6617490

SCHEMBL6617490

O=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3ccccc3)n2)c(O)c1)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.41
▸ PKM P14618 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KCNJ6 P48051 1/20 0.40
▸ KCNJ5 P48544 1/20 0.40
▸ KCNJ3 P48549 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ACKR3 P25106 2/20 0.39
▸ SMO Q99835 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CRACR2A Q9BSW2 1/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ KCNK3 O14649 1/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39
▸ CHRM5 P08912 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 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
SCHEMBL6603314 0.97 PPARG (0.40) PPARGPKMMAPTROCK2ACKR3
SCHEMBL6618658 0.93 PPARG (0.44) PPARGPKMMAPTKCNJ6KCNJ5
SCHEMBL6683281 0.93 MAPT (0.40) PPARGPKMMAPTROCK2CNR1
SCHEMBL6614980 0.92 CNR1 (0.42) PKMMAPTKCNJ6KCNJ5KCNJ3
SCHEMBL6621042 0.92 ACKR3 (0.40) PPARGPKMACKR3SMOCASP3
SCHEMBL6603129 0.91 TP53 (0.41) PKMMAPTROCK2ACKR3CNR1
SCHEMBL6621094 0.90 PPARG (0.43) PPARGPKMMAPTKCNJ6KCNJ5
SCHEMBL6617385 0.90 LMNA (0.39) PKMMAPTCRACR2ACASP3CHRM5
SCHEMBL6616448 0.89 EPHX2 (0.40) PPARGPKMMAPTROCK2ACKR3
SCHEMBL6618278 0.89 MEN1 (0.45) PPARGPKMMAPTACKR3CRACR2A

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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