SCHEMBL2298237

SCHEMBL2298237

CC(C)(C)C1[C@H](CC(=O)NNC(=O)Nc2ccc(Br)cc2F)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 4/20 0.40
THRB P10828 1/20 0.40
TP53 P04637 1/20 0.40
FPR2 P25090 2/20 0.40
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL2300110 0.84 KMT2A (0.41) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14152092 0.76 THRB (0.52) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL21381054 0.73 SMN1; SMN2 (0.43) LMNASMN1; SMN2MAPTPOLBL3MBTL1
SCHEMBL15874475 0.72 THRB (0.52) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2297057 0.72 USP30 (0.50) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL15874474 0.72 THRB (0.52) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2298365 0.71 THRB (0.44) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL15064460 0.69 HDAC3 (0.43) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL15064582 0.69 CNR2 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL2355152 0.69 FASN (0.42)

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-2011103546-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-08-25 WO disclosed