SCHEMBL30739156

SCHEMBL30739156

CCOC(=O)c1cnn(Cc2ccc(-c3ccc(C#N)cc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.51
▸ GRM2 Q14416 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SCD O00767 1/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ ELANE P08246 2/20 0.43
▸ ITK Q08881 1/20 0.42
▸ AR P10275 1/20 0.42
▸ FNTA P49354 3/20 0.42
▸ FNTB P49356 3/20 0.42
▸ CYP19A1 P11511 2/20 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
SCHEMBL30739164 1.00 KLKB1 (0.51) KLKB1GRM2MAPTTDP1LMNA
SCHEMBL20529831 0.98 KLKB1 (0.52) KLKB1GRM2MAPTTDP1LMNA
SCHEMBL30739056 0.94 KLKB1 (0.50) KLKB1GRM2MAPTTDP1LMNA
SCHEMBL30739112 0.87 GRM2 (0.44) KLKB1GRM2MAPTTDP1LMNA
SCHEMBL30739083 0.86 GRM2 (0.48) KLKB1GRM2MAPTLMNASMN1; SMN2
SCHEMBL2822906 0.85 ALDH1A1 (0.53) GRM2LMNATSHRSMN1; SMN2CYP19A1
SCHEMBL1909166 0.85 GRM2 (0.53) KLKB1GRM2LMNA
SCHEMBL30739047 0.85 GRM2 (0.43) KLKB1GRM2MAPTTDP1LMNA
SCHEMBL28595790 0.84 ESR1 (0.55) KLKB1GRM2TDP1LMNATSHR
SCHEMBL2821953 0.84 LMNA (0.54) KLKB1GRM2MAPTTDP1LMNA

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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