SCHEMBL9876261

SCHEMBL9876261

O=C1CSC(c2cccnc2)N1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CHRNA7 P36544 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP11B2 P19099 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
SCHEMBL5450446 0.79 SMN1; SMN2 (0.59) ALDH1A1KDM4ESMN1; SMN2GAAGFER
SCHEMBL156842 0.74 CHRNB2 (0.56) ALDH1A1KDM4ESMN1; SMN2CHRNB2CHRNA4
SCHEMBL8089772 0.71 GFER (0.52) ALDH1A1SMN1; SMN2GAAGFERMAPT
SCHEMBL8096935 0.71 GFER (0.52) ALDH1A1KDM4ESMN1; SMN2GAAGFER
SCHEMBL8089828 0.71 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2GAAGFERMAPT
SCHEMBL9871142 0.71 RAB9A (0.46) ALDH1A1KDM4EGAACHRNB2CHRNA4
SCHEMBL8099174 0.71 GFER (0.52) ALDH1A1KDM4ESMN1; SMN2GAAGFER
SCHEMBL8089821 0.71 GFER (0.56) SMN1; SMN2GAAGFERL3MBTL1TDP1
SCHEMBL2788897 0.70 CHRNB2 (0.56) KDM4ESMN1; SMN2GAACHRNB2CHRNA4
SCHEMBL8923934 0.70 CHRNB2 (0.56) ALDH1A1KDM4ESMN1; SMN2CHRNB2CHRNA4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1341594-A Substituted pyrrolidone, thiazolidone or oxazolidone as herbicide ZENECA LTD (GB) 2002-03-27 CN disclosed
CN-1153512-A Substituted pyrrolidones, thiazolidinones or oxazolidinones as herbicides ZENECA LTD (GB) 1997-07-02 CN 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