SCHEMBL8765653

SCHEMBL8765653

O=S(=O)(Cl)c1ccccc1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.46
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 1/20 0.38
S100A4 P26447 1/20 0.37
PTGS2 P35354 3/20 0.37
TRPV4 Q9HBA0 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
NAT1 P18440 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
IDO1 P14902 1/20 0.35
DNMT1 P26358 1/20 0.35
DNMT3L Q9UJW3 1/20 0.35
DNMT3A Q9Y6K1 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL4202592 0.82 PTGS2 (0.55) RAB9AS100A4PTGS2PTGS1NAT1
SCHEMBL17628496 0.81 ALDH1A1 (0.40) RAB9AKMT2APTGS2ALDH1A1HSD17B10
SCHEMBL313390 0.79 ALDH1A1 (0.46) PTGS2PTGS1ALDH1A1HSD17B10TDP1
SCHEMBL7127239 0.79 ALDH1A1 (0.48) PTPRCRAB9AKMT2AS100A4PTGS2
SCHEMBL6949091 0.78 PTGES2 (0.57) PTGS2TRPV4PTGS1PTGES2
SCHEMBL8658017 0.77 PTGS1 (0.49) PTPRCCNR1CNR2S100A4PTGS2
SCHEMBL28405839 0.74 GSTP1 (0.53) PTGS2PTGES2KDM4E
SCHEMBL15879481 0.74 PTGS2 (0.48) RAB9AKMT2APTGS2PTGS1ALDH1A1
SCHEMBL2008147 0.73 PTGS2 (0.53) RAB9AKMT2APTGS2PTGS1ALDH1A1
SCHEMBL8765394 0.73 AHR (0.46) S100A4TRPV4PTGES2ALDH1A1IDO1

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-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed