SCHEMBL6614980

SCHEMBL6614980

O=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3cccc(F)c3)n2)c(O)c1)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ KCNJ6 P48051 2/20 0.40
▸ KCNJ5 P48544 2/20 0.40
▸ KCNJ3 P48549 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ ACKR3 P25106 2/20 0.38
▸ SENP5 Q96HI0 1/20 0.37
▸ SENP2 Q9HC62 1/20 0.37
▸ SENP1 Q9P0U3 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ PKM P14618 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ROCK2 O75116 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
SCHEMBL6618100 0.97 CNR1 (0.41) CNR1EPHX2KCNJ6KCNJ5KCNJ3
SCHEMBL6618658 0.92 PPARG (0.44) CNR1KCNJ6KCNJ5KCNJ3MAPT
SCHEMBL6617490 0.92 PPARG (0.41) CNR1KCNJ6KCNJ5KCNJ3ACKR3
SCHEMBL6616412 0.90 MAPT (0.41) CNR1EPHX2KCNJ6KCNJ5KCNJ3
SCHEMBL6683281 0.90 MAPT (0.40) CNR1EPHX2MAPTPKMROCK2
SCHEMBL6634119 0.89 CNR1 (0.42) CNR1EPHX2KCNJ6KCNJ5KCNJ3
SCHEMBL6621094 0.89 PPARG (0.43) CNR1KCNJ6KCNJ5KCNJ3MAPT
SCHEMBL6617364 0.89 CNR1 (0.42) CNR1EPHX2KCNJ6KCNJ5KCNJ3
SCHEMBL6603314 0.89 PPARG (0.40) CNR1ACKR3SENP5SENP2SENP1
SCHEMBL6618278 0.88 MEN1 (0.45) ACKR3SENP5SENP2SENP1MAPT

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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