SCHEMBL30739083

SCHEMBL30739083

CCOC(=O)c1cnn(Cc2ccc(CC#N)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ KLKB1 P03952 5/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ KLK1 P06870 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ ESR2 Q92731 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
SCHEMBL30739035 0.89 GRM2 (0.41) GRM2HSD17B10ALDH1A1LMNAKDM4E
SCHEMBL30739255 0.88 GRM2 (0.46) GRM2HSD17B10ALDH1A1LMNAKLKB1
SCHEMBL20529831 0.88 KLKB1 (0.52) GRM2ALDH1A1LMNAKLKB1MAPT
SCHEMBL1909166 0.87 GRM2 (0.53) GRM2HSD17B10ALDH1A1LMNAKLKB1
SCHEMBL2821953 0.86 LMNA (0.54) GRM2HSD17B10ALDH1A1LMNAKLKB1
SCHEMBL28595790 0.86 ESR1 (0.55) GRM2HSD17B10ALDH1A1LMNAKLKB1
SCHEMBL30739164 0.86 KLKB1 (0.51) GRM2LMNAKLKB1MAPTSMN1; SMN2
SCHEMBL30739156 0.86 KLKB1 (0.51) GRM2LMNAKLKB1MAPTSMN1; SMN2
SCHEMBL30739056 0.85 KLKB1 (0.50) GRM2ALDH1A1LMNAKLKB1MAPT
SCHEMBL554548 0.85 GRM2 (0.51) GRM2HSD17B10ALDH1A1LMNAKLKB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561993-A1 INHIBITORS OF PLASMA KALLIKREIN Rezolute, Inc. (US) 2025-06-04 — — EP disclosed
CN-120051460-A Plasma kallikrein inhibitors 瑞泽路特有限公司 2025-05-27 — — CN disclosed
WO-2024025907-A1 INHIBITORS OF PLASMA KALLIKREIN REZOLUTE, INC. (US) 2024-02-01 — — WO disclosed
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