SCHEMBL9802344

SCHEMBL9802344

O=C1c2ccccc2C(=O)N1c1ccccc1CSc1nc2c(n1-c1ccccn1)CCC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.38
NR1H2 P55055 2/20 0.38
ELANE P08246 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CASP1 P29466 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
HBB P68871 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
CASP7 P55210 1/20 0.32

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
SCHEMBL9802544 0.81 ALDH1A1 (0.34) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL9665407 0.79 L3MBTL1 (0.35) ALDH1A1GAAMAPK1MAPTSMN1; SMN2
SCHEMBL9802577 0.77 MEN1 (0.37) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9802352 0.72 ALDH1A1 (0.32) ALDH1A1KDM4EGAASMN1; SMN2TSHR
SCHEMBL9665324 0.68 ALDH1A1 (0.46) NR1H3NR1H2ELANEALDH1A1SMN1; SMN2
SCHEMBL9802550 0.66 ALDH1A1 (0.32) ALDH1A1KDM4E
SCHEMBL9803054 0.66 NR1H3 (0.35) NR1H3NR1H2ELANEALDH1A1KDM4E
SCHEMBL9802597 0.65 L3MBTL1 (0.52) NR1H3NR1H2ELANEALDH1A1GAA
SCHEMBL9808773 0.65 L3MBTL1 (0.51) NR1H3NR1H2ELANEGAAMAPT
SCHEMBL9802583 0.63 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5053417-A Antiulcer agents TANABE SEIYAKU CO., LTD. (JP) 1991-10-01 US disclosed
US-5002945-A Antiulcer agents TANABE SEIYAKU CO. LTD. (JP) 1991-03-26 US disclosed
US-4996217-A Antiulcer agents TANABE SEIYAKU COMPANY, LTD. (JP) 1991-02-26 US disclosed
EP-0270091-A1 Imidazole derivatives, processes for the preparation of the same, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments of therapeutic value, and intermediates formed during said processes TANABE SEIYAKU CO., LTD. (JP) 1988-06-08 EP disclosed