SCHEMBL31591091

SCHEMBL31591091

COCCc1ccc(Cn2cc(C(N)=O)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 13/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KLK1 P06870 2/20 0.47
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GRM2 Q14416 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
SCHEMBL31591074 0.88 KLKB1 (0.61) KLKB1KDM4EKLK1L3MBTL1GRM2
SCHEMBL31591087 0.86 KLKB1 (0.46) KLKB1KDM4EALDH1A1KLK1LMNA
SCHEMBL2272882 0.84 L3MBTL1 (0.57) KLKB1KDM4EALDH1A1L3MBTL1HSD17B10
SCHEMBL30739075 0.84 GRM2 (0.48) KLKB1KDM4EALDH1A1KLK1LMNA
SCHEMBL17696410 0.82 KLKB1 (0.55) KLKB1KDM4EALDH1A1KLK1LMNA
SCHEMBL30739119 0.81 KLKB1 (0.76) KLKB1KLK1
SCHEMBL31591076 0.80 KLKB1 (0.51) KLKB1KDM4EALDH1A1KLK1LMNA
SCHEMBL31591066 0.79 KDM4E (0.44) KLKB1KDM4EALDH1A1KLK1LMNA
SCHEMBL22183009 0.79 L3MBTL1 (0.49) L3MBTL1
SCHEMBL15964732 0.79 KLKB1 (0.60) KLKB1KDM4EALDH1A1LMNAL3MBTL1

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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