SCHEMBL9834675

SCHEMBL9834675

O=C1CCC(CNS(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.78
ALDH1A1 P00352 3/20 0.64
PKM P14618 1/20 0.64
CTSL P07711 3/20 0.55
CTSK P43235 3/20 0.55
CTSB P07858 2/20 0.55
PARG Q86W56 1/20 0.55
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 1/20 0.50
KEAP1 Q14145 1/20 0.50
CYP2C9 P11712 1/20 0.49

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
SCHEMBL9834420 0.91 GBA1 (0.69) GBA1ALDH1A1PKMCTSLCTSK
SCHEMBL2470122 0.88 GBA1 (1.00) GBA1ALDH1A1PKMCTSLCTSK
SCHEMBL3811045 0.85 GBA1 (0.86) GBA1ALDH1A1PKMCTSLCTSK
SCHEMBL8394068 0.85 GBA1 (0.86) GBA1ALDH1A1PKMCTSLCTSK
SCHEMBL9832352 0.84 CNR1 (0.55) GBA1ALDH1A1PKMPARGKMT2A
SCHEMBL9833885 0.84 GBA1 (0.55) GBA1ALDH1A1PKMPARGKMT2A
SCHEMBL8396377 0.83 GBA1 (0.83) GBA1ALDH1A1PKMCTSLCTSK
SCHEMBL7886816 0.83 GBA1 (0.83) GBA1ALDH1A1PKMCTSLCTSK
SCHEMBL9834810 0.82 GBA1 (0.65) GBA1ALDH1A1PKMCTSLCTSK
SCHEMBL14606609 0.81 GBA1 (0.84) GBA1ALDH1A1PKMCTSLCTSK

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