SCHEMBL9832886

SCHEMBL9832886

Cc1ccc(S(=O)(=O)NC2CCC(=O)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
TSHR P16473 2/20 0.71
CYP3A4 P08684 2/20 0.71
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 1/20 0.58
RECQL P46063 1/20 0.58
HTT P42858 2/20 0.57
PSEN1 P49768 2/20 0.49
PSEN2 P49810 2/20 0.49
APH1B Q8WW43 2/20 0.49
NCSTN Q92542 2/20 0.49
APH1A Q96BI3 2/20 0.49
PSENEN Q9NZ42 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL9833475 0.90 ALDH1A1 (0.62) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL2372546 0.88 ALDH1A1 (0.83) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL10375728 0.86 ALDH1A1 (0.80) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL12819436 0.84 ALDH1A1 (0.96) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL13297951 0.84 ALDH1A1 (0.90) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL9015380 0.83 KDM4E (0.58) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL2192735 0.83 MAPK1 (0.71) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL9594597 0.83 KDM4E (0.58) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL1711883 0.83 SMN1; SMN2 (0.56) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL8660130 0.83 ALDH1A1 (0.65) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E

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