SCHEMBL9834758

SCHEMBL9834758

O=S(=O)(NC1CCc2[nH]c3ccccc3c2C1)c1ccc(F)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RB1 P06400 4/20 0.83
TBXA2R P21731 4/20 0.52
PTGDR2 Q9Y5Y4 4/20 0.52
PTGDR Q13258 3/20 0.52
ABCB11 O95342 1/20 0.51
CYP2C9 P11712 1/20 0.51
DRD1 P21728 1/20 0.51
CCKAR P32238 1/20 0.51
NR2E1 Q9Y466 1/20 0.48
SSTR3 P32745 1/20 0.47
KCNH2 Q12809 1/20 0.47
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
PARG Q86W56 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
HTR6 P50406 1/20 0.43

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
SCHEMBL1427264 1.00 RB1 (0.83) RB1TBXA2RPTGDR2PTGDRABCB11
SCHEMBL9833845 0.91 RB1 (0.68) RB1TBXA2RPTGDR2PTGDRNR2E1
SCHEMBL9834014 0.83 RB1 (0.59) RB1TBXA2RHTR6
SCHEMBL9593099 0.82 RB1 (0.58) RB1
Hydrochloric Acid SCHEMBL9592041 0.77 RB1 (0.52) RB1TBXA2RPTGDR2PTGDRHTR6
SCHEMBL4803895 0.76 NR2E1 (0.61) RB1CYP2C9NR2E1
SCHEMBL9362217 0.73 RB1 (0.50) RB1TBXA2RPTGDR2PTGDR
SCHEMBL11217331 0.73 SSTR3 (0.64) RB1DRD1NR2E1SSTR3KCNH2
SCHEMBL7654341 0.72 MAPT (0.48) RB1PTGDR2HTR6
SCHEMBL9834116 0.72 RB1 (0.55) RB1TBXA2RPTGDR2PTGDRABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0242518-B1 Cycloalkano[1,2-b]indole-sulfonamides BAYER AG (DE) 1991-04-10 EP disclosed
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
EP-0242518-A1 Cycloalkano[1,2-b]indole-sulfonamides BAYER AG (DE) 1987-10-28 EP disclosed