SCHEMBL4641337

SCHEMBL4641337

CC(=O)c1ccc(-c2ccccc2)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
S100A4 P26447 1/20 0.50
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.45
SYK P43405 1/20 0.45
AURKB Q96GD4 1/20 0.45
INCENP Q9NQS7 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B1 P14061 1/20 0.44
EGFR P00533 1/20 0.43
HPGD P15428 4/20 0.42
PDK2 Q15119 1/20 0.42
LMNA P02545 2/20 0.42
SGK1 O00141 1/20 0.42
CYP1A2 P05177 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
SCHEMBL2674701 0.85 CYP1A2 (0.51) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6229323 0.85 TTR (0.52) SMN1; SMN2NPC1RAB9AALDH1A1MAPK1
SCHEMBL14176467 0.83 MAPT (0.61) MAPTSMN1; SMN2S100A4NPC1RAB9A
SCHEMBL24959804 0.82 ALDH1A1 (0.45) MAPTSMN1; SMN2ALDH1A1MAPK1EGFR
SCHEMBL5608472 0.80 HSD17B1 (0.62) MAPTSMN1; SMN2S100A4NPC1RAB9A
SCHEMBL7521709 0.80 MAPT (0.68) MAPTSMN1; SMN2S100A4NPC1RAB9A
SCHEMBL8490253 0.79 GSK3B (0.47) ALDH1A1MAPK1KMT2AMEN1EGFR
SCHEMBL25660885 0.79 GSK3B (0.42)
SCHEMBL11543441 0.79 HSD17B1 (0.51) MAPTSMN1; SMN2S100A4NPC1RAB9A
SCHEMBL3800105 0.79 MAPT (0.55) MAPTSMN1; SMN2S100A4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951692-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2008-08-06 EP disclosed
WO-2007056496-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2007-05-18 WO disclosed