SCHEMBL9835154

SCHEMBL9835154

O=C1CCCC(NS(=O)(=O)c2ccc(Cl)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
RECQL P46063 1/20 0.56
HDAC8 Q9BY41 2/20 0.49
PSEN1 P49768 2/20 0.48
PSEN2 P49810 2/20 0.48
APH1B Q8WW43 2/20 0.48
NCSTN Q92542 2/20 0.48
APH1A Q96BI3 2/20 0.48
PSENEN Q9NZ42 2/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
TBXA2R P21731 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C9 P11712 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
SCHEMBL9834723 0.91 HDAC8 (0.54) SMN1; SMN2KDM4ERECQLHDAC8PSEN1
SCHEMBL9833732 0.85 ALDH1A1 (0.68) SMN1; SMN2KDM4ERECQLPSEN1PSEN2
SCHEMBL9835353 0.85 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ERECQLPSEN1PSEN2
SCHEMBL9835230 0.85 KDM4E (0.54) SMN1; SMN2KDM4ERECQLPSEN1PSEN2
SCHEMBL14842266 0.82 SMN1; SMN2 (0.75) SMN1; SMN2KDM4ERECQLALDH1A1HTT
SCHEMBL7893069 0.82 SMN1; SMN2 (0.81) SMN1; SMN2KDM4ERECQLALDH1A1HTT
SCHEMBL9015380 0.81 KDM4E (0.58) SMN1; SMN2KDM4ERECQLHDAC8PSEN1
SCHEMBL7562761 0.81 SMN1; SMN2 (0.79) SMN1; SMN2KDM4ERECQLALDH1A1HTT
SCHEMBL14855800 0.79 KDM4E (0.51) SMN1; SMN2KDM4ERECQLHDAC8PSEN1
SCHEMBL14855921 0.79 KDM4E (0.51) SMN1; SMN2KDM4ERECQLHDAC8PSEN1

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