SCHEMBL31067474

SCHEMBL31067474

NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C(=O)c3ccccc3)c2)c1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 19/20 0.84
CARM1 Q86X55 1/20 0.67

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
SCHEMBL17064713 1.00 KLKB1 (0.84) KLKB1CARM1
SCHEMBL31067583 0.94 KLKB1 (0.89) KLKB1CARM1
SCHEMBL18604968 0.94 KLKB1 (0.89) KLKB1CARM1
Hydrochloric Acid SCHEMBL31067585 0.93 KLKB1 (0.87) KLKB1CARM1
Hydrochloric Acid SCHEMBL18604713 0.93 KLKB1 (0.87) KLKB1CARM1
SCHEMBL18604685 0.89 KLKB1 (0.87) KLKB1CARM1
SCHEMBL17064482 0.89 KLKB1 (0.87) KLKB1CARM1
SCHEMBL31067520 0.89 KLKB1 (0.87) KLKB1CARM1
SCHEMBL30415357 0.89 KLKB1 (0.87) KLKB1CARM1
SCHEMBL25305257 0.86 KLKB1 (0.82) KLKB1CARM1

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-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed