SCHEMBL28126263

SCHEMBL28126263

COc1ccc(NCC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.57
KCNH2 Q12809 4/20 0.57
F2 P00734 2/20 0.57
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
NFKB1 P19838 1/20 0.48
CASP3 P42574 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
TMPRSS4 Q9NRS4 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
F9 P00740 1/20 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
SCHEMBL254113 0.88 F10 (0.72) F10KCNH2F2
Hydrochloric Acid SCHEMBL160886 0.87 F10 (0.71) F10KCNH2F2
SCHEMBL6694260 0.81 KCNH2 (0.64) F10KCNH2F2
SCHEMBL6714358 0.80 F10 (0.69) F10KCNH2F2NPC1RAB9A
SCHEMBL805112 0.78 RAB9A (0.58) F10KCNH2F2NPC1RAB9A
SCHEMBL13645063 0.78 RAB9A (0.57) F10KCNH2F2NPC1RAB9A
SCHEMBL890632 0.77 F10 (0.71) F10KCNH2TMPRSS4
SCHEMBL6694262 0.77 F10 (0.63) F10KCNH2F2
SCHEMBL14366426 0.77 F10 (0.58) F10KCNH2F2NPC1RAB9A
SCHEMBL10177863 0.77 F10 (0.57) F10KCNH2F2NPC1RAB9A

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-106518758-A Preparation method of Betrixaban intermediate N-(5-chloro-2-pyridyl)-2-(4-cyanobenzeneformamido)-5-metoxybenzamide 扬子江药业集团江苏紫龙药业有限公司 2017-03-22 CN disclosed