SCHEMBL9833957

SCHEMBL9833957

CN(CC1CCC(=O)CC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.48
HTR2B P41595 1/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CCR5 P51681 2/20 0.42
HTR2A P28223 1/20 0.42
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
GBA1 P04062 1/20 0.41
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
LMNA P02545 2/20 0.39
NAMPT P43490 1/20 0.39
NPY5R Q15761 1/20 0.39
MAPK1 P28482 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38

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
SCHEMBL19957602 0.77 HTR2C (0.49) HTR2CHTR2BALDH1A1KDM4EMEN1
SCHEMBL21139642 0.76 CCR5 (0.42) HTR2CHTR2BALDH1A1KDM4EMEN1
SCHEMBL28955096 0.75 KDM4E (0.47) HTR2CKDM4EMEN1KMT2ACCR5
SCHEMBL6788957 0.74 MAPT (0.57) ALDH1A1KDM4EKMT2AGBA1GAA
SCHEMBL12077868 0.73 TAS2R14 (0.52) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL5191089 0.73 CCR5 (0.59) ALDH1A1KDM4EMEN1KMT2ACCR5
SCHEMBL9834675 0.72 GBA1 (0.78) ALDH1A1MEN1KMT2AGBA1
SCHEMBL11184672 0.70 CCR5 (0.56) ALDH1A1KDM4EMEN1KMT2ACCR5
SCHEMBL29455234 0.69 HTR2C (0.60) HTR2CHTR2BMEN1KMT2AHTR2A
SCHEMBL3598002 0.68 DAO (0.34)

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