SCHEMBL8265331

SCHEMBL8265331

N=C(N)c1ccc(CNC(=O)c2cc(Cl)cc(CCc3ccc(Cl)cc3)c2)c(OCC(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.51
F2 P00734 2/20 0.41
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
NLRP1 Q9C000 1/20 0.39
GAA P10253 2/20 0.38
EPHX2 P34913 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PLAU P00749 1/20 0.36
DDR1 Q08345 1/20 0.36
MAPK14 Q16539 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8265744 0.94 F10 (0.49) F10F2LMNAMAPK1NLRP1
Hydrochloric Acid SCHEMBL5901060 0.86 F10 (0.49) F10F2NPC1RAB9ASMN1; SMN2
SCHEMBL8266229 0.85 F10 (0.52) F10F2LMNAMAPK1NLRP1
Hydrochloric Acid SCHEMBL5177126 0.84 F10 (0.51) F10F2EPHX2PLAUDDR1
Hydrochloric Acid SCHEMBL5900704 0.83 F10 (0.49) F10F2NPC1RAB9ADDR1
SCHEMBL8266378 0.83 F10 (0.48) F10F2LMNAEPHX2NPC1
Hydrochloric Acid SCHEMBL5900675 0.82 F10 (0.47) F10F2LMNAEPHX2NPC1
SCHEMBL8266411 0.82 F10 (0.51) F10F2GAAEPHX2NPC1
Hydrochloric Acid SCHEMBL5086255 0.81 F10 (0.50) F10F2GAAEPHX2NPC1
SCHEMBL8264858 0.81 F10 (0.49) F10F2LMNAMAPT

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