SCHEMBL11290339

SCHEMBL11290339

CC(=O)Nc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)cs1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.73
RORC P51449 1/20 0.56
AOC3 Q16853 2/20 0.54
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 2/20 0.54
GSTO1 P78417 1/20 0.53
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
STAT3 P40763 1/20 0.53

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
SCHEMBL11290507 0.89 MAPT (0.60) ABL1RORCRAB9ANPC1SMN1; SMN2
SCHEMBL9893009 0.86 ABL1 (1.00) ABL1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL11287330 0.85 NPC1 (0.70) ABL1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13200859 0.84 ELOVL1 (0.67) RORCMAPTROCK2ROCK1MEN1
SCHEMBL7496737 0.83 EGFR (0.74) ABL1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL208697 0.82 MEN1 (0.72) SMN1; SMN2MAPTROCK1MEN1KMT2A
SCHEMBL2093712 0.78 ABL1 (0.70) ABL1AOC3RAB9ANPC1SMN1; SMN2
SCHEMBL28759631 0.78 ABL1 (0.70) ABL1AOC3RAB9ANPC1SMN1; SMN2
SCHEMBL28199635 0.78 RAB9A (0.72) ABL1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL11279870 0.77 LTA4H (0.71) RAB9ANPC1SMN1; SMN2MAPT

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-4348403-A 2-Amino-4-(4-benzyloxyphenyl)thiazoles, and their use in hyperlipemia TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-09-07 US claimed
EP-0027957-A1 2-Amino-4-(4-benzyloxyphenyl)thiazoles, their production and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1981-05-06 EP claimed
US-4348403-A 2-Amino-4-(4-benzyloxyphenyl)thiazoles, and their use in hyperlipemia TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-09-07 US disclosed
EP-0027957-A1 2-Amino-4-(4-benzyloxyphenyl)thiazoles, their production and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1981-05-06 EP disclosed