SCHEMBL30711643

SCHEMBL30711643

NC(=O)Cc1cc(Cl)ccc1-n1cnnn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.47
NOTUM Q6P988 1/20 0.46
MASP2 O00187 1/20 0.46
F11 P03951 4/20 0.45
KLK1 P06870 1/20 0.44
KLKB1 P03952 2/20 0.44
CYP3A4 P08684 2/20 0.43
POLB P06746 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
F9 P00740 1/20 0.42
F10 P00742 1/20 0.42
PLAT P00750 1/20 0.42
PRSS1 P07477 1/20 0.42
F7 P08709 1/20 0.42
TBXA2R P21731 1/20 0.42
PRSS3 P35030 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
SCHEMBL27033847 1.00 F2 (0.47) F2NOTUMMASP2F11KLK1
SCHEMBL27033841 0.88 F11 (0.48) F2NOTUMMASP2F11KLK1
SCHEMBL30711653 0.88 F11 (0.48) F2NOTUMMASP2F11KLK1
Lithium Ion SCHEMBL30711671 0.85 F11 (0.46) F2NOTUMMASP2F11KLK1
Lithium Ion SCHEMBL29174316 0.85 F11 (0.46) F2NOTUMMASP2F11KLK1
SCHEMBL29141797 0.83 F2 (0.45) F2NOTUMMASP2F11KLKB1
SCHEMBL27033507 0.83 F2 (0.49) F2MASP2F11KLK1KLKB1
SCHEMBL29958713 0.83 F2 (0.49) F2MASP2F11KLK1KLKB1
Acetic Acid SCHEMBL3931722 0.82 MASP2 (0.49) F2MASP2F11KLK1KLKB1
SCHEMBL24729488 0.81 F2 (0.49) F2NOTUMMASP2F11CYP3A4

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-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 CN disclosed