SCHEMBL14404272

SCHEMBL14404272

CNC(=N)c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(CI)cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.58
KLKB1 P03952 5/20 0.49
KCNH2 Q12809 2/20 0.47

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
SCHEMBL14404489 0.92 F10 (0.52) F10KLKB1KCNH2
SCHEMBL12134452 0.86 KDM4E (0.62) F10KCNH2
SCHEMBL14404592 0.86 F10 (0.55) F10
SCHEMBL10146317 0.85 F10 (0.77) F10KLKB1KCNH2
SCHEMBL13348779 0.85 F10 (0.60) F10KLKB1KCNH2
SCHEMBL10146381 0.85 F10 (0.60) F10KCNH2
SCHEMBL14632281 0.85 F10 (0.59) F10KCNH2
SCHEMBL14404270 0.83 F10 (0.55) F10KLKB1
SCHEMBL14629887 0.83 F10 (0.65) F10KCNH2
SCHEMBL14404269 0.82 F10 (0.51) F10KLKB1KCNH2

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
US-7285565-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed