SCHEMBL8636006

SCHEMBL8636006

CCCCCNc1ccc2cc(S(=O)(=O)O)[c]c(O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
CNR2 P34972 2/20 0.36
EPHX1 P07099 1/20 0.35
AVPR2 P30518 1/20 0.35
KCNH3 Q9ULD8 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
PTGS2 P35354 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NT5E P21589 1/20 0.33
AR P10275 1/20 0.33
NSD2 O96028 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
PTPN11 Q06124 1/20 0.33
PLK1 P53350 3/20 0.33
EGFR P00533 2/20 0.33
SYK P43405 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL9306981 0.78 CASP6 (0.57) ABL1CNR2EPHX1PTGS2ALDH1A1
SCHEMBL10893977 0.75 CASP6 (0.57) ABL1ALDH1A1NT5EARNSD2
SCHEMBL10877331 0.73 TNNI3 (0.56) ABL1CNR2PTGS2AREGFR
SCHEMBL4632424 0.72 SNCA (0.52) ABL1CNR2EPHX1KCNH3PTGS2
SCHEMBL6635390 0.71 HSD17B10 (0.50) ALDH1A1NT5ENSD2DUSP3PTPN5
SCHEMBL11212315 0.71 PRMT1 (0.59) ABL1CNR2EPHX1PTGS2NT5E
SCHEMBL9243791 0.70 CNR2 (0.46) ABL1CNR2ALDH1A1PLK1CA1
SCHEMBL5679102 0.70 ABL1 (0.48) ABL1EPHX1KCNH3GPR84PTGS2
SCHEMBL5673842 0.70 SNCA (0.49) ABL1CNR2EPHX1PTGS2ALDH1A1
SCHEMBL12260009 0.70 ABL1 (0.54) ABL1CNR2EPHX1KCNH3ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831129-A1 Disazodyestuffs BAYER AG (DE) 1998-03-25 EP disclosed