SCHEMBL31067486

SCHEMBL31067486

N#Cc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(F)cc(C(=O)c3ccccc3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 14/20 0.57
CARM1 Q86X55 3/20 0.50
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
F9 P00740 2/20 0.46
F10 P00742 2/20 0.46

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
SCHEMBL18605077 1.00 KLKB1 (0.57) KLKB1CARM1TP53MAPTSMN1; SMN2
SCHEMBL31067428 0.91 KLKB1 (0.64) KLKB1CARM1F9F10
SCHEMBL18604889 0.91 KLKB1 (0.64) KLKB1CARM1F9F10
SCHEMBL17064530 0.85 KLKB1 (0.64) KLKB1CARM1
SCHEMBL17064893 0.84 KLKB1 (0.56) KLKB1CARM1F10
SCHEMBL31067643 0.84 KLKB1 (0.54) KLKB1CARM1
SCHEMBL31067563 0.84 KLKB1 (0.56) KLKB1CARM1F10
SCHEMBL17064358 0.84 KLKB1 (0.54) KLKB1CARM1
SCHEMBL29825870 0.83 KLKB1 (0.53) KLKB1
SCHEMBL18604718 0.83 KLKB1 (0.53) KLKB1

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