SCHEMBL9802544

SCHEMBL9802544

Nc1ccccc1CSc1nc2c(n1-c1ccccn1)CCC2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
DHFR P00374 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL9665407 0.84 L3MBTL1 (0.35) ALDH1A1NPC1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL9802344 0.81 NR1H3 (0.38) ALDH1A1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL9802577 0.80 MEN1 (0.37) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9802550 0.73 ALDH1A1 (0.32) ALDH1A1NPSR1DHFR
SCHEMBL9667560 0.71 L3MBTL1 (0.50) ALDH1A1NPC1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL9802352 0.66 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2LMNA
SCHEMBL27297136 0.65 HDAC1 (0.49) ALDH1A1NPC1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL9802583 0.65 ALDH1A1 (0.34) ALDH1A1L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL9666081 0.62 ALDH1A1 (0.45) ALDH1A1NPC1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL9668156 0.62 ALDH1A1 (0.30) ALDH1A1MAPT

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