SCHEMBL8265019

SCHEMBL8265019

N=C(N)c1ccc(CNC(=O)c2cc(Cl)cc(OCc3ccncc3)c2)c(OCC(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.48
MAPK14 Q16539 2/20 0.40
CYP3A4 P08684 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ST14 Q9Y5Y6 3/20 0.40
F2 P00734 3/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGER1 P34995 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LOX P28300 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
BRD4 O60885 1/20 0.37
LMNA P02545 1/20 0.37

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
Hydrochloric Acid SCHEMBL5900557 0.99 F10 (0.47) F10MAPK14CYP3A4HTTSMN1; SMN2
SCHEMBL8267222 0.92 F10 (0.58) F10MAPK14CYP3A4HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL5901060 0.91 F10 (0.49) F10HTTSMN1; SMN2ST14F2
Hydrochloric Acid SCHEMBL5900730 0.91 F10 (0.57) F10MAPK14CYP3A4HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL5900704 0.90 F10 (0.49) F10ST14F2PRSS1PRSS2
SCHEMBL8265742 0.90 HTT (0.49) F10HTTSMN1; SMN2PTGER1ALDH1A1
Hydrochloric Acid SCHEMBL5900676 0.89 HTT (0.49) F10HTTSMN1; SMN2PTGER1ALDH1A1
SCHEMBL8266229 0.89 F10 (0.52) F10ST14F2PRSS1PRSS2
Hydrochloric Acid SCHEMBL5900575 0.89 F10 (0.47) F10ST14F2PRSS1PRSS2
Hydrochloric Acid SCHEMBL5177126 0.88 F10 (0.51) F10ST14F2PRSS1PRSS2

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-2006027135-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-16 WO disclosed