SCHEMBL9879982

SCHEMBL9879982

O=C(O)Cn1c2c(c3ccccc31)CC(NS(=O)(=O)c1ccccc1)CC2.[NaH]

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.85
TBXA2R P21731 6/20 0.85
PTGDR Q13258 5/20 0.85
ABCB11 O95342 1/20 0.70
CYP2C9 P11712 1/20 0.70
DRD1 P21728 1/20 0.70
CCKAR P32238 1/20 0.70
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
GLA P06280 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL18456875 0.92 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL698600 0.92 PTGDR2 (0.82) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL16558830 0.92 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL19799335 0.92 PTGDR2 (0.82) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL3021349 0.90 PTGDR2 (0.78) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL9833660 0.89 PTGDR2 (0.87) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL833260 0.88 PTGDR2 (0.70) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL833502 0.88 PTGDR2 (0.70) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL833259 0.88 PTGDR2 (0.70) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL1427848 0.84 PTGDR2 (0.98) PTGDR2TBXA2RPTGDRABCB11CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988820-A Inhibiting platelet aggregation, anticoagulants, thromboxane a2 antagonist BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4965258-A Anticoagulant; thromboxane a2 antagonist BAYER AKTIENGESELLSCHAFT (DE) 1990-10-23 US disclosed
US-4904797-A REACTING A (BENZENESULFONAMIDOALKYL)CYCLOALKANO(1,2-B)INDOLE WITH ACRYLONITRILE; HYDROLYSIS, HYDROGENATION, REDUCTION BAYER AKTIENGESELLSCHAFT (DE) 1990-02-27 US disclosed
US-4827032-A INTERMEDIATES FOR ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 1989-05-02 US disclosed