SCHEMBL934603

SCHEMBL934603

CC(Cc1cccc(-c2cccnc2)c1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.53
EPHX2 P34913 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
F2 P00734 1/20 0.49
F10 P00742 1/20 0.49
PRSS1 P07477 1/20 0.49
MKNK1 Q9BUB5 9/20 0.49
MKNK2 Q9HBH9 9/20 0.49
LRRK2 Q5S007 1/20 0.48
TBXAS1 P24557 2/20 0.48
KMO O15229 1/20 0.48
SYK P43405 1/20 0.45
MEN1 O00255 1/20 0.45
PSIP1 O75475 1/20 0.45
AXL P30530 1/20 0.45

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
SCHEMBL933472 0.86 PRKCI (0.54) PRMT6CTSVCTSLCTSSF10
SCHEMBL933922 0.86 MKNK1 (0.55) F2F10PRSS1MKNK1MKNK2
SCHEMBL933852 0.84 TBXAS1 (0.60) TBXAS1
SCHEMBL14732763 0.81 EPHX2 (0.62) PSMB5EPHX2PRMT6CTSVCTSL
SCHEMBL31369586 0.80 GRIA2 (0.66) PSMB5EPHX2PRMT6CTSVCTSL
SCHEMBL951716 0.79 CTSV (0.52) CTSVCTSLCTSBCTSSLRRK2
SCHEMBL21369072 0.79 EPHX2 (0.55) PSMB5EPHX2PRMT6CTSVCTSL
SCHEMBL5176875 0.79 EPHX2 (0.55) PSMB5EPHX2PRMT6MKNK1MKNK2
SCHEMBL7675391 0.78 KMO (0.54) PSMB5EPHX2PRMT6CTSVCTSL
SCHEMBL952137 0.76 CTSV (0.52) CTSVCTSLCTSBCTSS

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-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed