SCHEMBL6619698

SCHEMBL6619698

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3)n2)c(O)c1)c1cc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SENP1 Q9P0U3 3/20 0.46
▸ SENP5 Q96HI0 2/20 0.46
▸ SENP2 Q9HC62 2/20 0.46
▸ APP P05067 1/20 0.41
▸ TMIGD3 P0DMS9 2/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ HDAC2 Q92769 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HTR3A P46098 2/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ SIRT3 Q9NTG7 1/20 0.38
▸ CHRNA7 P36544 2/20 0.38
▸ HTR3E A5X5Y0 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
SCHEMBL6621958 0.94 HDAC2 (0.44) SENP1SENP5SENP2APPTMIGD3
SCHEMBL6614975 0.94 SENP1 (0.45) SENP1SENP5SENP2APPTMIGD3
SCHEMBL6616205 0.92 HTR3A (0.44) SENP1SENP5SENP2APPTMIGD3
SCHEMBL6602651 0.92 SENP1 (0.46) SENP1SENP5SENP2APPTMIGD3
SCHEMBL6618546 0.92 CLK1 (0.42) SENP1SENP5SENP2TMIGD3ADORA1
SCHEMBL6616793 0.91 SENP1 (0.41) SENP1SENP5SENP2APPTMIGD3
SCHEMBL6616434 0.89 TMIGD3 (0.39) SENP1SENP5SENP2APPTMIGD3
SCHEMBL6602256 0.89 RAB9A (0.41) SENP1SENP5SENP2APPTMIGD3
SCHEMBL6616786 0.88 TMIGD3 (0.41) SENP1SENP5SENP2APPTMIGD3
SCHEMBL6613706 0.88 HDAC2 (0.43) SENP1SENP5SENP2APPTMIGD3

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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