SCHEMBL31591068

SCHEMBL31591068

N#Cc1ccn(Cc2ccc(Cn3cc(C(N)=O)cn3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 8/20 0.45
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ EGLN2 Q96KS0 1/20 0.39
▸ ITK Q08881 1/20 0.39
▸ SCD O00767 1/20 0.38
▸ KLK1 P06870 1/20 0.37
▸ ERCC5 P28715 1/20 0.37
▸ CYP19A1 P11511 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36

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
SCHEMBL31591078 0.86 KLKB1 (0.43) KLKB1KDM4EALDH1A1HSD17B10LMNA
SCHEMBL30739125 0.85 KLKB1 (0.53) KLKB1KDM4EALDH1A1HSD17B10LMNA
SCHEMBL31591075 0.84 KLKB1 (0.52) KLKB1KDM4EALDH1A1HSD17B10LMNA
SCHEMBL30739112 0.83 GRM2 (0.44) KLKB1ALDH1A1HSD17B10LMNAMAPT
SCHEMBL30739171 0.82 KLKB1 (0.69) KLKB1KLK1
SCHEMBL31591060 0.80 KDM4E (0.49) KLKB1KDM4EALDH1A1HSD17B10LMNA
SCHEMBL31591059 0.78 KLKB1 (0.52) KLKB1ITKSCDERCC5
SCHEMBL31591066 0.78 KDM4E (0.44) KLKB1KDM4EALDH1A1HSD17B10LMNA
SCHEMBL31591076 0.76 KLKB1 (0.51) KLKB1KDM4EALDH1A1HSD17B10LMNA
SCHEMBL30730357 0.76 HSD17B10 (0.57) KLKB1KDM4EALDH1A1HSD17B10EGLN2

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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