SCHEMBL530128

SCHEMBL530128

CCC(C)c1c(C(N)=O)cccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.56
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
HNF4A P41235 1/20 0.41
PLA2G10 O15496 4/20 0.41
PLA2G2A P14555 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
PLA2G1B P04054 1/20 0.40
PLA2G5 P39877 1/20 0.40
PLA2G2C Q5R387 1/20 0.40
PLA2G12B Q9BX93 1/20 0.40
PLA2G12A Q9BZM1 1/20 0.40
PLA2G2F Q9BZM2 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
SCHEMBL4301679 0.89 BCAT2 (0.57) BCAT2KEAP1NFE2L2SCN1ASCN2A
SCHEMBL4068668 0.84 BCAT2 (0.62) BCAT2KEAP1NFE2L2HNF4APLA2G10
SCHEMBL4560226 0.81 BCAT2 (0.57) BCAT2KEAP1NFE2L2HNF4APLA2G10
SCHEMBL2564959 0.78 BCAT2 (0.57) BCAT2KEAP1NFE2L2SCN1ASCN2A
SCHEMBL530130 0.77 TSHR (0.45) BCAT2KEAP1NFE2L2PLA2G10PLA2G2A
SCHEMBL3079111 0.76 PDCD1 (0.43) KMT2AKCNQ2MAPT
SCHEMBL4439618 0.75 BCAT2 (0.62) BCAT2KEAP1NFE2L2SCN1ASCN2A
SCHEMBL3643864 0.75 IRAK4 (0.37) KEAP1NFE2L2MEN1KMT2AIRAK4
SCHEMBL28382984 0.74 PDCD1 (0.41) SMN1; SMN2NPC1RAB9AKCNQ2MAPT
SCHEMBL8679944 0.74 TSHR (0.48) KCNQ2MAPT

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