SCHEMBL9833475

SCHEMBL9833475

Cc1ccc(S(=O)(=O)NC2CCC(=O)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
TSHR P16473 2/20 0.62
CYP3A4 P08684 1/20 0.62
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
PSEN1 P49768 2/20 0.50
PSEN2 P49810 2/20 0.50
APH1B Q8WW43 2/20 0.50
NCSTN Q92542 2/20 0.50
APH1A Q96BI3 2/20 0.50
PSENEN Q9NZ42 2/20 0.50
KDM4E B2RXH2 1/20 0.50
RECQL P46063 1/20 0.50
GAA P10253 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CA1 P00915 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
SCHEMBL9833732 0.91 ALDH1A1 (0.68) ALDH1A1TSHRCYP3A4HTTSMN1; SMN2
SCHEMBL9832886 0.90 ALDH1A1 (0.71) ALDH1A1TSHRCYP3A4HTTSMN1; SMN2
SCHEMBL8660130 0.87 ALDH1A1 (0.65) ALDH1A1TSHRCYP3A4HTTSMN1; SMN2
SCHEMBL9834116 0.84 RB1 (0.55) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL9834723 0.84 HDAC8 (0.54) HTTSMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL9832398 0.84 PSEN1 (0.50) ALDH1A1SMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL2372546 0.81 ALDH1A1 (0.83) ALDH1A1TSHRCYP3A4HTTSMN1; SMN2
SCHEMBL8384541 0.81 PSEN1 (0.64) ALDH1A1TSHRCYP3A4HTTSMN1; SMN2
SCHEMBL10375728 0.80 ALDH1A1 (0.80) ALDH1A1TSHRCYP3A4HTTSMN1; SMN2
SCHEMBL12819436 0.78 ALDH1A1 (0.96) ALDH1A1TSHRCYP3A4HTTSMN1; SMN2

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