SCHEMBL28375280

SCHEMBL28375280

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 9/20 0.53
KDM5B Q9UGL1 7/20 0.53
KDM5A P29375 6/20 0.53
KDM2B Q8NHM5 2/20 0.53
KDM5C P41229 1/20 0.45
KLKB1 P03952 7/20 0.45
KLK1 P06870 3/20 0.45
KDM4A O75164 3/20 0.44
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
PABPC1 P11940 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL28375307 0.89 KDM4C (0.54) KDM4CKDM5BKDM5AKDM2BKDM5C
SCHEMBL18360339 0.89 KLKB1 (0.42) KDM4CKDM5BKDM5AKDM2BKLKB1
SCHEMBL16880891 0.86 KLKB1 (0.45) KLKB1KLK1KEAP1NFE2L2
SCHEMBL16891520 0.83 KDM4C (0.42) KDM4CKDM5BKDM5AKDM2BKDM5C
SCHEMBL16891444 0.83 KLKB1 (0.42) KLKB1KLK1KEAP1NFE2L2
SCHEMBL21292976 0.83 KDM4C (0.41) KDM4CKDM5BKDM5AKDM2BKDM5C
SCHEMBL16880479 0.82 KLKB1 (0.46) KDM4CKDM5BKDM5AKDM2BKDM5C
SCHEMBL27925527 0.80 KDM4C (0.62) KDM4CKDM5BKDM5AKDM2BKDM5C
SCHEMBL28105676 0.80 KMT2A (0.49) KLKB1KLK1MEN1KMT2A
SCHEMBL28379113 0.80 KLKB1 (0.43) KLKB1KLK1KEAP1NFE2L2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106061480-B Therapeutic inhibitory compounds 莱福斯希医药公司 2020-02-28 CN disclosed
CN-106061480-A Therapeutic inhibitory compounds 莱福斯希医药公司 2016-10-26 CN disclosed