SCHEMBL2298548

SCHEMBL2298548

CC(C)COC(=O)N1CC(CC(=O)NNC(=O)Nc2ccc(Br)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 4/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
FPR2 P25090 4/20 0.39
RXFP1 Q9HBX9 1/20 0.39
EPHX2 P34913 1/20 0.38
GPR183 P32249 1/20 0.38
BCL2 P10415 1/20 0.38
BECN1 Q14457 1/20 0.38
HDAC2 Q92769 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
SCHEMBL14342873 0.92 GPR183 (0.44) KITKMT2ARAB9ANPC1KCNK3
SCHEMBL2298545 0.83 FPR2 (0.54) KMT2ARAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2298347 0.78 KMT2A (0.51) KMT2ARAB9ANPC1LMNAMEN1
SCHEMBL14720196 0.77 HDAC2 (0.46) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL14151538 0.75 KMT2A (0.50) KMT2ARAB9ANPC1MEN1KDM4E
SCHEMBL2295438 0.73 KMT2A (0.48) KMT2ARAB9ANPC1LMNAMEN1
SCHEMBL2299286 0.73 KMT2A (0.48) KMT2ARAB9ANPC1LMNAMEN1
SCHEMBL14152796 0.73 KMT2A (0.48) KMT2ARAB9ANPC1LMNAMEN1
SCHEMBL2300230 0.72 HDAC2 (0.39) KITKMT2ARAB9AKCNK3KCNK9
SCHEMBL3042748 0.69 SMN1; SMN2 (0.60) KMT2ARAB9ASMN1; SMN2LMNAMEN1

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