SCHEMBL7745955

SCHEMBL7745955

CS(=O)(=O)NCCn1c(CN2C(=O)/C(=N/OCc3ccc(S(C)(=O)=O)cc3)c3cc(F)ccc32)nc2cc(F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.41
PLK1 P53350 1/20 0.35
GNRHR P30968 8/20 0.34
PTGS2 P35354 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL7745715 0.90 AGTR1 (0.35) TBXA2RPLK1GNRHR
SCHEMBL7745380 0.86 TBXA2R (0.39) TBXA2RPTGS2CA12CA1CA2
SCHEMBL7746063 0.83 IDO1 (0.35) TBXA2RPTGS2CA12CA1CA2
SCHEMBL7741233 0.83 TBXA2R (0.34) TBXA2RPTGS2CA12CA1CA2
SCHEMBL7741627 0.78 CNR2 (0.38) TBXA2R
SCHEMBL7745974 0.75 DRD2 (0.42) TBXA2R
SCHEMBL7741465 0.75 AGTR1 (0.36) TBXA2R
SCHEMBL7741469 0.73 PTGDR2 (0.42) TBXA2RCA12CA1CA2CA9
SCHEMBL7746035 0.73 AGTR1 (0.36) TBXA2R
SCHEMBL7745634 0.73 ALDH1A1 (0.37) TBXA2RCA1CA2

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