SCHEMBL12476325

SCHEMBL12476325

COc1ccc(Oc2ncc(Br)s2)c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
ACACB O00763 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXFP1 Q9HBX9 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
NQO2 P16083 1/20 0.30

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
SCHEMBL12475843 0.83 ACACB (0.37) ACACB
SCHEMBL12476873 0.75 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL12476150 0.75 TRPA1 (0.42) ACACB
SCHEMBL17050447 0.75 ACACB (0.41) ACACBMEN1KMT2AMAPT
SCHEMBL12475820 0.75 ACACB (0.44) ACACB
SCHEMBL2430393 0.74
SCHEMBL17050448 0.71 ACACB (0.37) ACACBMAPT
SCHEMBL12476562 0.71 ACACB (0.42) ALDH1A1ACACBSMN1; SMN2LMNAHSD17B10
SCHEMBL12475857 0.71 ACACB (0.46) ACACB
SCHEMBL12475981 0.70 ACACB (0.44) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012090219-A2 THIAZOLE COMPOUNDS USEFUL AS ACETYL-COA CARBOXYLASE (ACC) INHIBITORS JUBILANT BIOSYS LTD. (IN) 2012-07-05 WO disclosed