SCHEMBL9058911

SCHEMBL9058911

CN(C)CCN=Cc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
CHRNA7 P36544 1/20 0.47
G6PC1 P35575 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4900404 0.87 ALDH1A1 (0.56) ALDH1A1G6PC1SMN1; SMN2NPC1RAB9A
SCHEMBL4253302 0.84 ALDH1A1 (0.67) ALDH1A1G6PC1SMN1; SMN2NPC1RAB9A
SCHEMBL4253299 0.84 ALDH1A1 (0.67) ALDH1A1G6PC1SMN1; SMN2NPC1RAB9A
SCHEMBL7664429 0.81 ALDH1A1 (0.58) ALDH1A1G6PC1SMN1; SMN2NPC1RAB9A
SCHEMBL7664431 0.81 ALDH1A1 (0.58) ALDH1A1G6PC1SMN1; SMN2NPC1RAB9A
SCHEMBL4253696 0.80 ALDH1A1 (0.60) ALDH1A1G6PC1SMN1; SMN2NPC1KDM4E
SCHEMBL4253702 0.80 ALDH1A1 (0.60) ALDH1A1G6PC1SMN1; SMN2NPC1KDM4E
SCHEMBL11558089 0.79 CA2 (0.49) ALDH1A1G6PC1KDM4ELMNAL3MBTL1
SCHEMBL673967 0.79 CA2 (0.49) ALDH1A1G6PC1KDM4ELMNAL3MBTL1
SCHEMBL7119990 0.79 ALDH1A1 (0.55) ALDH1A1G6PC1SMN1; SMN2NPC1RAB9A

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
WO-1996020936-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-07-11 WO 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