SCHEMBL18360339

SCHEMBL18360339

C=C(O)c1ccnc(Cc2ccc(Cn3ccccc3=O)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 15/20 0.42
KLK1 P06870 5/20 0.42
KDM5A P29375 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK14 Q16539 1/20 0.36

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
SCHEMBL28375280 0.89 KDM4C (0.53) KLKB1KLK1KDM5AKDM2BKDM4C
SCHEMBL16891444 0.87 KLKB1 (0.42) KLKB1KLK1KEAP1NFE2L2
SCHEMBL16880891 0.83 KLKB1 (0.45) KLKB1KLK1KEAP1NFE2L2
SCHEMBL16891625 0.82 KLKB1 (0.45) KLKB1KLK1KEAP1NFE2L2
SCHEMBL28375307 0.79 KDM4C (0.54) KLKB1KLK1KDM5AKDM2BKDM4C
SCHEMBL16891515 0.76 KLKB1 (0.52) KLKB1KLK1
Propionic Acid SCHEMBL28105683 0.75 KEAP1 (0.42) KLKB1KLK1KEAP1NFE2L2
SCHEMBL18360055 0.75 KLKB1 (0.51) KLKB1KLK1
SCHEMBL18360327 0.74 KLKB1 (0.42) KLKB1KLK1
SCHEMBL16891553 0.74 KLKB1 (0.49) KLKB1KLK1

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-2017001926-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC (BB) 2017-01-05 WO disclosed