SCHEMBL529871

SCHEMBL529871

Cc1ccc(C(N)=O)c(C)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.48
BRD4 O60885 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
FABP4 P15090 1/20 0.44
IKBKB O14920 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
SIRT3 Q9NTG7 1/20 0.42
MYC P01106 1/20 0.41
MAP2 P11137 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
DHODH Q02127 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL20552421 0.91 BCAT2 (0.50) BCAT2BRD4MKNK1MKNK2KDM4E
SCHEMBL6389902 0.87 BCAT2 (0.47) BCAT2BRD4MKNK1MKNK2KDM4E
SCHEMBL28727078 0.87 FABP4 (0.45) BRD4MKNK1MKNK2KMT2AFABP4
SCHEMBL27911586 0.86 BCAT2 (0.55) BCAT2BRD4MKNK1MKNK2KDM4E
Dimethylamine SCHEMBL9280041 0.86 BCAT2 (0.46) BCAT2BRD4MKNK1MKNK2KDM4E
SCHEMBL28784266 0.84 BCAT2 (0.44) BCAT2BRD4KDM4EMEN1KMT2A
SCHEMBL3834197 0.84 KMT2A (0.50) BCAT2BRD4MKNK1MKNK2KDM4E
SCHEMBL27475690 0.84 BCAT2 (0.47) BCAT2BRD4MKNK1MKNK2KDM4E
SCHEMBL7430279 0.84 FABP4 (0.43) BCAT2BRD4MKNK1MKNK2FABP4
SCHEMBL529885 0.82 DHODH (0.46) BCAT2BRD4MKNK1MKNK2KDM4E

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-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed