SCHEMBL31591066

SCHEMBL31591066

N#CCCc1ccc(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
▸ KLKB1 P03952 12/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 1/20 0.40
▸ KLK1 P06870 3/20 0.39
▸ GRM2 Q14416 1/20 0.38
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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 0.86 KDM4E (0.49) KDM4EALDH1A1KLKB1HSD17B10LMNA
SCHEMBL30739255 0.82 GRM2 (0.46) KDM4EALDH1A1KLKB1HSD17B10LMNA
SCHEMBL30739125 0.82 KLKB1 (0.53) KDM4EALDH1A1KLKB1HSD17B10LMNA
SCHEMBL31591075 0.81 KLKB1 (0.52) KDM4EALDH1A1KLKB1HSD17B10LMNA
SCHEMBL30739103 0.80 KLKB1 (0.74) KLKB1KLK1
SCHEMBL31591076 0.80 KLKB1 (0.51) KDM4EALDH1A1KLKB1HSD17B10LMNA
SCHEMBL31591101 0.80 L3MBTL1 (0.39) KDM4EALDH1A1KLKB1HSD17B10LMNA
SCHEMBL17696410 0.79 KLKB1 (0.55) KDM4EALDH1A1KLKB1HSD17B10LMNA
SCHEMBL31591091 0.79 KLKB1 (0.48) KDM4EALDH1A1KLKB1HSD17B10LMNA
SCHEMBL15964732 0.79 KLKB1 (0.60) KDM4EALDH1A1KLKB1HSD17B10LMNA

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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