SCHEMBL2295438

SCHEMBL2295438

O=C(CC1CCN(C(=O)C2CC2)C1)NNC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
EPHX2 P34913 4/20 0.47
THRB P10828 1/20 0.46
GPR183 P32249 1/20 0.44
MEN1 O00255 3/20 0.43
CHRNA7 P36544 1/20 0.43
FPR2 P25090 3/20 0.41
FPR1 P21462 2/20 0.41
SMYD3 Q9H7B4 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL14152796 1.00 KMT2A (0.48) KMT2ANPC1RAB9AEPHX2THRB
SCHEMBL2299286 1.00 KMT2A (0.48) KMT2ANPC1RAB9AEPHX2THRB
SCHEMBL2298347 0.92 KMT2A (0.51) KMT2ANPC1RAB9AEPHX2THRB
SCHEMBL14151538 0.89 KMT2A (0.50) KMT2ANPC1RAB9AEPHX2THRB
SCHEMBL2303512 0.83 HTT (0.47) KMT2AEPHX2MEN1KDM4ELMNA
SCHEMBL14151936 0.83 HTT (0.47) KMT2AEPHX2MEN1KDM4ELMNA
SCHEMBL14151661 0.83 ALDH1A1 (0.42) KMT2ANPC1RAB9AEPHX2THRB
SCHEMBL14152150 0.83 EPHX2 (0.45) KMT2ARAB9AEPHX2GPR183MEN1
SCHEMBL10380723 0.83 THRB (0.48) KMT2ANPC1RAB9AEPHX2THRB
SCHEMBL14151454 0.82 RXFP1 (0.48) KMT2AEPHX2THRBGPR183ALDH1A1

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-2538787-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2013-01-02 EP disclosed
WO-2011103546-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-08-25 WO disclosed