SCHEMBL14404606

SCHEMBL14404606

N=C(N)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(CI)cn2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.56
KCNH2 Q12809 2/20 0.48
KLK1 P06870 1/20 0.46
KLK5 Q9Y337 1/20 0.46
KLKB1 P03952 1/20 0.43

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
SCHEMBL14404269 0.90 F10 (0.51) F10KCNH2KLKB1
SCHEMBL14404271 0.89 F10 (0.49) F10KCNH2
SCHEMBL14404275 0.89 F10 (0.58) F10KCNH2
SCHEMBL14404267 0.88 F10 (0.72) F10
SCHEMBL14629808 0.85 F10 (0.46) F10KCNH2KLK1KLK5KLKB1
SCHEMBL10146294 0.85 F10 (0.77) F10KCNH2
SCHEMBL14310022 0.85 NPC1 (0.61) F10KCNH2KLK1KLK5
SCHEMBL10146365 0.85 F10 (0.59) F10KCNH2KLK1KLK5
SCHEMBL13349198 0.85 F10 (0.59) F10KCNH2KLK1KLK5
SCHEMBL14629783 0.85 F10 (0.61) F10KCNH2

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