SCHEMBL16144671

SCHEMBL16144671

O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F11 P03951 12/20 0.45
KLK1 P06870 1/20 0.45
F9 P00740 6/20 0.44
MAP4K4 O95819 1/20 0.41

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
SCHEMBL30995005 0.80 MAP4K4 (0.41) F11KLK1MAP4K4
SCHEMBL30994989 0.80 F11 (0.41) F11KLK1F9
SCHEMBL29227912 0.80 MAP4K4 (0.41) F11KLK1MAP4K4
SCHEMBL28653879 0.79 F11 (0.42) F11KLK1F9
SCHEMBL29396971 0.79 F11 (0.42) F11KLK1F9
SCHEMBL30995057 0.78 F11 (0.42) F11KLK1F9
SCHEMBL29227955 0.78 F11 (0.42) F11KLK1F9
SCHEMBL30995006 0.76 ALDH1A1 (0.49) F11KLK1F9
SCHEMBL29062100 0.75 F11 (0.52) F11
SCHEMBL30408842 0.75 F11 (0.52) F11

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
WO-2014160592-A2 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-02 WO disclosed