SCHEMBL7741233

SCHEMBL7741233

COCCCn1c(CN2C(=O)/C(=N/OCc3ccc(S(C)(=O)=O)cc3)c3cc(F)ccc32)nc2ccc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 3/20 0.34
CA12 O43570 2/20 0.34
CASP3 P42574 3/20 0.33
CASP7 P55210 3/20 0.33
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
PTGS2 P35354 1/20 0.32
CHRM5 P08912 1/20 0.31

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
SCHEMBL7746063 0.89 IDO1 (0.35) TBXA2RCA1CA2CA9CA12
SCHEMBL7745710 0.88 AGTR1 (0.38) TBXA2RAGTR1AGTR2
SCHEMBL7745955 0.83 TBXA2R (0.41) TBXA2RCA1CA2CA9CA12
SCHEMBL7745380 0.80 TBXA2R (0.39) TBXA2RCA1CA2CA9CA12
SCHEMBL7741250 0.78 AGTR1 (0.36) TBXA2RAGTR1AGTR2
SCHEMBL7745634 0.76 ALDH1A1 (0.37) TBXA2RCA1CA2AGTR1AGTR2
SCHEMBL7745715 0.75 AGTR1 (0.35) TBXA2RAGTR1AGTR2
SCHEMBL7745936 0.74 TSHR (0.41)
SCHEMBL7745730 0.74 DRD2 (0.34) TBXA2R
SCHEMBL7741469 0.73 PTGDR2 (0.42) TBXA2RCA1CA2CA9CA12

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