SCHEMBL9833845

SCHEMBL9833845

O=S(=O)(NC1CCc2[nH]c3ccccc3c2C1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RB1 P06400 6/20 0.68
NR2E1 Q9Y466 1/20 0.52
HTR6 P50406 1/20 0.49
PARG Q86W56 1/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
TBXA2R P21731 2/20 0.44
PTGDR Q13258 2/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.44
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL9834758 0.91 RB1 (0.83) RB1NR2E1HTR6PARGTBXA2R
SCHEMBL1427264 0.91 RB1 (0.83) RB1NR2E1HTR6PARGTBXA2R
SCHEMBL4803895 0.80 NR2E1 (0.61) RB1NR2E1HTR1AHTR1DHTR1B
SCHEMBL14693721 0.78 NR2E1 (0.56) RB1NR2E1HTR1AHTR1DHTR1B
SCHEMBL23875579 0.78 NR2E1 (0.58) RB1NR2E1HTR1AHTR1DHTR1B
Sulfuric Acid SCHEMBL7589746 0.75 NR2E1 (0.47) RB1NR2E1HTR1AHTR1DHTR1B
SCHEMBL9834014 0.75 RB1 (0.59) RB1HTR6HTR1AHTR1DHTR1B
SCHEMBL7406266 0.74 NR2E1 (0.55) RB1NR2E1HTR1AHTR1DHTR1B
SCHEMBL7406063 0.74 RB1 (0.81) RB1NR2E1
SCHEMBL7416460 0.74 RB1 (0.57) RB1NR2E1HTR1AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1015711-B Cycloalkaho [1,2-b] indole-sulphonamides BAYER AG (DE) 1992-03-04 CN disclosed
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
CN-87100773-A Cycloalkanes is [1,2-b] indoles-sulfamide compound also 1987-09-02 CN disclosed