SCHEMBL6616793

SCHEMBL6616793

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c(O)c1)c1cc2ccccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SENP1 Q9P0U3 3/20 0.41
▸ SENP5 Q96HI0 2/20 0.41
▸ SENP2 Q9HC62 2/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ TMIGD3 P0DMS9 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ APP P05067 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ HDAC2 Q92769 2/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ SSTR3 P32745 3/20 0.36
▸ IMPDH2 P12268 1/20 0.36
▸ CHRNA7 P36544 2/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35

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
SCHEMBL6620064 0.94 SENP1 (0.40) SENP1SENP5SENP2PTGDR2TMIGD3
SCHEMBL6619698 0.91 SENP1 (0.46) SENP1SENP5SENP2PTGDR2TMIGD3
SCHEMBL6621958 0.90 HDAC2 (0.44) SENP1SENP5SENP2PTGDR2TMIGD3
SCHEMBL6618546 0.88 CLK1 (0.42) SENP1SENP5SENP2PTGDR2TMIGD3
SCHEMBL6617986 0.87 MAPT (0.43) HRH3
SCHEMBL6619381 0.86 HRH3 (0.43) HRH3SSTR3EPHX2
SCHEMBL6616434 0.85 TMIGD3 (0.39) SENP1SENP5SENP2PTGDR2TMIGD3
SCHEMBL6616205 0.85 HTR3A (0.44) SENP1SENP5SENP2PTGDR2TMIGD3
SCHEMBL6614975 0.85 SENP1 (0.45) SENP1SENP5SENP2PTGDR2TMIGD3
SCHEMBL6620870 0.85 MAPT (0.43) HRH3

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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