SCHEMBL9652240

SCHEMBL9652240

C[C@H]1S[C@H](c2cccnc2)N(C)C1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP3A4 P08684 1/20 0.51
THRB P10828 1/20 0.51
TSHR P16473 1/20 0.51
THPO P40225 1/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL3250771 1.00 KDM4E (0.51) KDM4ENPSR1CYP3A4THRBTSHR
SCHEMBL3250767 1.00 KDM4E (0.51) KDM4ENPSR1CYP3A4THRBTSHR
SCHEMBL3250768 1.00 KDM4E (0.51) KDM4ENPSR1CYP3A4THRBTSHR
SCHEMBL9652237 1.00 KDM4E (0.51) KDM4ENPSR1CYP3A4THRBTSHR
Hydrochloric Acid SCHEMBL29358906 0.98 KDM4E (0.50) KDM4ENPSR1CYP3A4THRBTSHR
Hydrochloric Acid SCHEMBL1793245 0.98 KDM4E (0.50) KDM4ENPSR1CYP3A4THRBTSHR
Hydrochloric Acid SCHEMBL1793249 0.98 KDM4E (0.50) KDM4ENPSR1CYP3A4THRBTSHR
Hydrochloric Acid SCHEMBL1793247 0.98 KDM4E (0.50) KDM4ENPSR1CYP3A4THRBTSHR
SCHEMBL11059909 0.82 CYP3A4 (0.43) KDM4ENPSR1CYP3A4THRBTSHR
SCHEMBL9652192 0.81 MAPT (0.45) KDM4ENPSR1CYP3A4THRBTSHR

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-0292305-B1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES AND ACID ADDITION SALTS THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-07-29 EP disclosed
US-5106860-A Treating inflammation, circulatory disease, gastrointestinal ulceration, allergies SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-04-21 US disclosed
US-5021435-A Administering to a patient suffering from an ulcer caused by stress or gastric acid SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-06-04 US disclosed
US-4992455-A Cardiovascular disorders SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-02-12 US disclosed
EP-0325496-A1 2-Pyridyl thiazolidin-4-one derivatives as anti-ulcer agents SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1989-07-26 EP disclosed
EP-0292305-A1 Novel thiazolidin-4-one derivatives and acid addition salts thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1988-11-23 EP disclosed