SCHEMBL2299342

SCHEMBL2299342

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 9/20 0.40
CYP2C9 P11712 1/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
EPHX1 P07099 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
EPHX2 P34913 1/20 0.35
FPR2 P25090 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL14720137 0.82 KMT2A (0.54) KMT2ARAB9ANPC1MEN1POLB
SCHEMBL789490 0.76 HDAC3 (0.42) KMT2ARAB9ANPC1MEN1LMNA
SCHEMBL2299897 0.72
SCHEMBL2298545 0.69 FPR2 (0.54) KMT2ARAB9ANPC1MEN1LMNA
SCHEMBL2298347 0.68 KMT2A (0.51) KMT2ARAB9ANPC1MEN1LMNA
SCHEMBL14720267 0.68 AAK1 (0.45) RAB9ANPC1LMNASMN1; SMN2POLB
SCHEMBL3824850 0.68 PLG (0.32) LMNA
SCHEMBL14151538 0.68 KMT2A (0.50) KMT2ARAB9ANPC1MEN1POLB
SCHEMBL2299286 0.66 KMT2A (0.48) KMT2ARAB9ANPC1MEN1LMNA
SCHEMBL2295438 0.66 KMT2A (0.48) KMT2ARAB9ANPC1MEN1LMNA

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