SCHEMBL31591065

SCHEMBL31591065

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ KLKB1 P03952 10/20 0.42
▸ KLK1 P06870 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ CYP19A1 P11511 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ UGT1A4 P22310 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ CACNA1H O95180 1/20 0.39

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
SCHEMBL30739054 0.84 GRM2 (0.45) KDM4EALDH1A1LMNAKLKB1KLK1
SCHEMBL31591060 0.81 KDM4E (0.49) KDM4EALDH1A1LMNAKLKB1KLK1
SCHEMBL27286166 0.81 KDM4E (0.49) KDM4EALDH1A1LMNAKLKB1KLK1
SCHEMBL17696410 0.79 KLKB1 (0.55) KDM4EALDH1A1LMNAKLKB1KLK1
SCHEMBL30739125 0.79 KLKB1 (0.53) KDM4EALDH1A1LMNAKLKB1HSD17B10
SCHEMBL31591066 0.79 KDM4E (0.44) KDM4EALDH1A1LMNAKLKB1KLK1
SCHEMBL31591079 0.78 KLKB1 (0.44) KDM4EALDH1A1LMNAKLKB1KLK1
SCHEMBL31591075 0.78 KLKB1 (0.52) KDM4EALDH1A1LMNAKLKB1HSD17B10
SCHEMBL31591076 0.77 KLKB1 (0.51) KDM4EALDH1A1LMNAKLKB1KLK1
SCHEMBL30739124 0.77 KLKB1 (0.54) 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
CN-120051460-A Plasma kallikrein inhibitors 瑞泽路特有限公司 2025-05-27 — — CN disclosed
Send feedback