SCHEMBL31591079

SCHEMBL31591079

CC(C#N)c1ccc(Cn2cc(C(N)=O)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 12/20 0.44
▸ KLK1 P06870 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ACACB O00763 2/20 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
SCHEMBL17693909 0.86 ALDH1A1 (0.49) KLKB1KLK1ALDH1A1KDM4EHSD17B10
SCHEMBL30739091 0.84 GRM2 (0.45) KLKB1KLK1ALDH1A1KDM4EHSD17B10
SCHEMBL30739071 0.81 KLKB1 (0.70) KLKB1KLK1
SCHEMBL31591060 0.81 KDM4E (0.49) KLKB1KLK1ALDH1A1KDM4EHSD17B10
SCHEMBL17696410 0.79 KLKB1 (0.55) KLKB1KLK1ALDH1A1KDM4EHSD17B10
SCHEMBL30739125 0.79 KLKB1 (0.53) KLKB1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL31591066 0.79 KDM4E (0.44) KLKB1KLK1ALDH1A1KDM4EHSD17B10
SCHEMBL31591065 0.78 KDM4E (0.44) KLKB1KLK1ALDH1A1KDM4EHSD17B10
SCHEMBL31591075 0.78 KLKB1 (0.52) KLKB1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL31591076 0.77 KLKB1 (0.51) KLKB1KLK1ALDH1A1KDM4EHSD17B10

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
Send feedback