SCHEMBL14720137

SCHEMBL14720137

CC(C)(C)[N+]1(C(=O)O)CC[C@@H](CC(=O)Nc2ccc(Br)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
MEN1 O00255 4/20 0.44
EPHX2 P34913 2/20 0.42
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.40
GPR183 P32249 1/20 0.39
NAMPT P43490 1/20 0.39
POLB P06746 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
IDO1 P14902 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL14720267 0.82 AAK1 (0.45) RAB9ANPC1TP53POLB
SCHEMBL2299342 0.82 KMT2A (0.44) KMT2ARAB9ANPC1MEN1EPHX2
SCHEMBL14720417 0.78 HDAC3 (0.41) KMT2ARAB9ANPC1MEN1HPGD
SCHEMBL14720616 0.74 LIMK2 (0.36) KMT2AMEN1
SCHEMBL7401491 0.74 KMT2A (0.87) KMT2ARAB9ANPC1MEN1EPHX2
SCHEMBL14720415 0.72 DRD2 (0.38) KMT2ARAB9AMEN1HPGDPOLB
SCHEMBL11520494 0.70 RAB9A (0.97) KMT2ARAB9ANPC1MEN1EPHX2
SCHEMBL14687969 0.68 KMT2A (0.74) KMT2ARAB9ANPC1MEN1EPHX2
SCHEMBL16825887 0.68 KMT2A (0.74) KMT2ARAB9ANPC1MEN1EPHX2
SCHEMBL14720555 0.68 FASN (0.37) KMT2A

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-2013028445-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed