SCHEMBL31591101

SCHEMBL31591101

N#CCc1ccc(CCn2cc(C(N)=O)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HAT1 O14929 1/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ KLKB1 P03952 4/20 0.35
▸ LMNA P02545 1/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL31591060 0.88 KDM4E (0.49) L3MBTL1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL28218622 0.83 NAMPT (0.53) L3MBTL1NAMPTKMT2AADORA3ADORA2A
SCHEMBL30739035 0.81 GRM2 (0.41) L3MBTL1KMT2AADORA3ADORA2AADORA1
SCHEMBL31591066 0.80 KDM4E (0.44) L3MBTL1KDM4EALDH1A1HSD17B10KLKB1
SCHEMBL30739043 0.80 KLKB1 (0.63) KLKB1
SCHEMBL31591080 0.75 ALDH1A1 (0.42) L3MBTL1KDM4EALDH1A1KLKB1LMNA
SCHEMBL1032852 0.74 PLA2G10 (0.52) L3MBTL1KMT2AALDH1A1HSD17B10
SCHEMBL22048432 0.73 L3MBTL1 (0.50) L3MBTL1NAMPTHAT1EP300LMNA
SCHEMBL30739125 0.72 KLKB1 (0.53) KDM4EALDH1A1HSD17B10CYP11B2KLKB1
SCHEMBL30636822 0.71 L3MBTL1 (0.49) L3MBTL1KLKB1LMNACCNCCDK8

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
CN-120051460-A Plasma kallikrein inhibitors 瑞泽路特有限公司 2025-05-27 — — CN disclosed
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