SCHEMBL31591059

SCHEMBL31591059

N#Cc1cccc(Cc2ccc(Cn3cc(C(N)=O)cn3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 5/20 0.52
▸ CREBBP Q92793 1/20 0.50
▸ ADRA1D P25100 1/20 0.46
▸ ITK Q08881 6/20 0.46
▸ AURKA O14965 2/20 0.46
▸ SCD O00767 2/20 0.46
▸ ALKBH1 Q13686 1/20 0.43
▸ VNN1 O95497 1/20 0.43
▸ ERCC5 P28715 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL31591075 0.88 KLKB1 (0.52) KLKB1ITKSCDALKBH1ERCC5
SCHEMBL30739032 0.84 KLKB1 (0.50) KLKB1CREBBPITKAURKASCD
SCHEMBL30739158 0.83 KLKB1 (0.71) KLKB1ITKAURKA
SCHEMBL30739125 0.82 KLKB1 (0.53) KLKB1ITKSCDERCC5
SCHEMBL30739069 0.79 KLKB1 (0.55) KLKB1
SCHEMBL30739086 0.78 KLKB1 (0.56) KLKB1
SCHEMBL31591068 0.78 KLKB1 (0.45) KLKB1ITKSCDERCC5
SCHEMBL15964732 0.78 KLKB1 (0.60) KLKB1CREBBPPOLBTDP1L3MBTL1
SCHEMBL31591060 0.77 KDM4E (0.49) KLKB1POLBTDP1L3MBTL1
SCHEMBL3859503 0.76 GSK3B (0.50) ADRA1DVNN1

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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