SCHEMBL8267012

SCHEMBL8267012

CNC(=O)COc1cc(C(=N)N)ccc1CNC(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.67
F2 P00734 3/20 0.44
DDR1 Q08345 2/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
PRSS1 P07477 2/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
PLAU P00749 1/20 0.38
EPHX2 P34913 2/20 0.38
ACLY P53396 1/20 0.38
ANO1 Q5XXA6 1/20 0.38
ANO2 Q9NQ90 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
NLRP1 Q9C000 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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 SCHEMBL5900590 0.99 F10 (0.66) F10F2DDR1HTTKMT2A
SCHEMBL5094724 0.94 F10 (0.66) F10F2DDR1HTTKMT2A
SCHEMBL8265923 0.93 F10 (0.63) F10F2DDR1HTTKMT2A
Hydrochloric Acid SCHEMBL5089599 0.93 F10 (0.63) F10F2DDR1HTTKMT2A
SCHEMBL5088302 0.93 F10 (0.63) F10F2DDR1HTTKMT2A
Hydrochloric Acid SCHEMBL5901004 0.93 F10 (0.63) F10F2DDR1HTTKMT2A
Hydrochloric Acid SCHEMBL5088297 0.92 F10 (0.62) F10F2DDR1HTTKMT2A
SCHEMBL8264960 0.92 F10 (0.62) F10F2DDR1HTTKMT2A
Hydrochloric Acid SCHEMBL5088320 0.92 F10 (0.62) F10F2DDR1HTTKMT2A
SCHEMBL8265313 0.92 F10 (0.62) F10F2DDR1HTTKMT2A

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