SCHEMBL9833952

SCHEMBL9833952

CC(N)(C1CCC(=O)CC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
HTR7 P34969 3/20 0.35
PARL Q9H300 2/20 0.34
ACHE P22303 1/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34
HTR1B P28222 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL1557258 0.73 MAPT (0.36) MAPTALDH1A1KMT2AATM
SCHEMBL27658639 0.70 MMP2 (0.35) HTR7MEN1KMT2AGAAL3MBTL1
SCHEMBL2069095 0.70 NR1H2 (0.50) GAAL3MBTL1POLBTSHR
SCHEMBL27658642 0.70 MMP2 (0.35) HTR7MEN1KMT2AGAAL3MBTL1
SCHEMBL2071211 0.70 NR1H2 (0.50) GAAL3MBTL1POLBTSHR
SCHEMBL28442855 0.69 CA1 (0.48) ALDH1A1CA12CA1CA2CA3
SCHEMBL29208957 0.69 KEAP1 (0.37) MAPTMEN1KMT2A
SCHEMBL8634630 0.69 KEAP1 (0.37) MAPTMEN1KMT2A
SCHEMBL7927656 0.69 CRBN (0.39) MAPTHTR7PARLACHEHTR1A
SCHEMBL18545816 0.68 KEAP1 (0.43) MAPTALDH1A1MEN1KMT2AATM

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