SCHEMBL6620064

SCHEMBL6620064

O=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c1)c1cc2ccccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SENP1 Q9P0U3 3/20 0.40
▸ SENP5 Q96HI0 2/20 0.40
▸ SENP2 Q9HC62 2/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ TMIGD3 P0DMS9 2/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ APP P05067 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ CHRNA7 P36544 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL6616793 0.94 SENP1 (0.41) SENP1SENP5SENP2PTGDR2TMIGD3
SCHEMBL6614975 0.91 SENP1 (0.45) SENP1SENP5SENP2PTGDR2TMIGD3
SCHEMBL6620034 0.90 TMIGD3 (0.38) SENP1SENP5SENP2PTGDR2TMIGD3
SCHEMBL6613706 0.90 HDAC2 (0.43) SENP1SENP5SENP2PTGDR2TMIGD3
SCHEMBL6621950 0.89 SENP1 (0.43) SENP1SENP5SENP2PTGDR2TMIGD3
SCHEMBL6602651 0.88 SENP1 (0.46) SENP1SENP5SENP2PTGDR2TMIGD3
SCHEMBL6617392 0.87 MEN1 (0.41) MEN1LMNAGAAKMT2AMAPT
SCHEMBL6617853 0.86 HTR3A (0.43) SENP1SENP5SENP2PTGDR2TMIGD3
SCHEMBL6619698 0.85 SENP1 (0.46) SENP1SENP5SENP2PTGDR2TMIGD3
SCHEMBL6615007 0.85 NPC1 (0.39) GAAMAPT

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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