SCHEMBL6621958

SCHEMBL6621958

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccc(F)cc3)n2)c(O)c1)c1cc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 4/20 0.44
▸ BTK Q06187 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ SENP5 Q96HI0 2/20 0.40
▸ SENP2 Q9HC62 2/20 0.40
▸ SENP1 Q9P0U3 2/20 0.40
▸ TMIGD3 P0DMS9 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ APP P05067 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ CXCR2 P25025 1/20 0.38
▸ OPRM1 P35372 2/20 0.37
▸ IMPDH2 P12268 1/20 0.36
▸ CHRNA7 P36544 2/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36

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
SCHEMBL6613706 0.94 HDAC2 (0.43) HDAC2BTKF10SENP5SENP2
SCHEMBL6619698 0.94 SENP1 (0.46) HDAC2BTKSENP5SENP2SENP1
SCHEMBL6618546 0.91 CLK1 (0.42) HDAC2BTKSENP5SENP2SENP1
SCHEMBL6616793 0.90 SENP1 (0.41) HDAC2BTKSENP5SENP2SENP1
SCHEMBL6616434 0.90 TMIGD3 (0.39) BTKF10SENP5SENP2SENP1
SCHEMBL6614579 0.88 TMIGD3 (0.39) F10SENP5SENP2SENP1TMIGD3
SCHEMBL6614975 0.88 SENP1 (0.45) HDAC2BTKSENP5SENP2SENP1
SCHEMBL6616205 0.87 HTR3A (0.44) SENP5SENP2SENP1TMIGD3ADORA2A
SCHEMBL6602651 0.86 SENP1 (0.46) HDAC2BTKSENP5SENP2SENP1
SCHEMBL6602256 0.86 RAB9A (0.41) HDAC2SENP5SENP2SENP1TMIGD3

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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