SCHEMBL7741102

SCHEMBL7741102

CS(=O)(=O)c1ccc(CO/N=C2/C(=O)N(CC(=O)Cl)c3ccc(F)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
PARK7 Q99497 2/20 0.37
UCHL1 P09936 3/20 0.36
UCHL3 P15374 3/20 0.36
ALDH1A1 P00352 5/20 0.36
ALDH3A1 P30838 4/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 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
SCHEMBL7741469 0.91 PTGDR2 (0.42) CHRM5CA1CA2CA12CA9
SCHEMBL7745598 0.85 PTPN7 (0.37) CHRM5CA1CA2CA9UCHL1
SCHEMBL13627976 0.77 CA1 (0.52) CHRM5CA1CA2CA12CA9
SCHEMBL7746032 0.76 FFAR4 (0.39) PARK7CASP3MEN1NPC1LMNA
SCHEMBL7746063 0.73 IDO1 (0.35) CHRM5CA1CA2CA12CA9
SCHEMBL7741233 0.73 TBXA2R (0.34) CHRM5CA1CA2CA12CA9
SCHEMBL7745380 0.71 TBXA2R (0.39) CA1CA2CA12CA9
SCHEMBL7745479 0.71 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHPGDHTT
SCHEMBL13627970 0.65 CHRM5 (0.53) CHRM5CA1CA2CA12CA9
SCHEMBL13627937 0.64 CHRM5 (0.55) CHRM5CA1CA2CA12CA9

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
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed