SCHEMBL9832398

SCHEMBL9832398

O=C1CCC(NS(=O)(=O)c2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
KDM4E B2RXH2 1/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CTSB P07858 3/20 0.48
CTSK P43235 3/20 0.48
UCHL1 P09936 2/20 0.48
CTSS P25774 2/20 0.48
CTSC P53634 2/20 0.48
USP30 Q70CQ3 2/20 0.48
CTSL P07711 1/20 0.48
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46

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
SCHEMBL9835230 0.90 KDM4E (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1711883 0.90 SMN1; SMN2 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9834723 0.84 HDAC8 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9833475 0.84 ALDH1A1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9834116 0.84 RB1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1711630 0.81 UCHL1 (0.54) KDM4ERECQLSMN1; SMN2UCHL1USP30
SCHEMBL8355420 0.80 KDM4E (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2225334 0.80 KDM4E (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL15687975 0.78 KDM4E (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7648169 0.77 KDM4E (0.81) KDM4ERECQLSMN1; SMN2MMP2MMP9

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