SCHEMBL8265299

SCHEMBL8265299

CNC(=O)COc1cc(/C(N)=N/O)ccc1CNC(=O)c1ccc(F)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.43
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ROCK2 O75116 6/20 0.36
ROCK1 Q13464 6/20 0.36
EPHX2 P34913 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
ANO1 Q5XXA6 1/20 0.35
ANO2 Q9NQ90 1/20 0.35
AKR1B1 P15121 2/20 0.35
UBE2N P61088 1/20 0.35
KLKB1 P03952 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 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
SCHEMBL5086309 0.88 F10 (0.41) F10MAPTHTTKMT2AROCK2
Hydrochloric Acid SCHEMBL5178223 0.88 F10 (0.53) F10HTTKMT2AROCK2ROCK1
SCHEMBL5089129 0.84 F10 (0.44) F10HTTKMT2AROCK2ROCK1
SCHEMBL5186033 0.82 HTT (0.41) F10HTTKMT2AROCK2ROCK1
SCHEMBL8266479 0.79 F10 (0.48) F10ROCK2ROCK1EPHX2KLKB1
SCHEMBL8264808 0.78 F10 (0.57) F10HTTKMT2AROCK2ROCK1
Hydrochloric Acid SCHEMBL5900754 0.77 F10 (0.56) F10HTTKMT2AROCK2ROCK1
Acetic Acid SCHEMBL5178953 0.77 F10 (0.48) F10MAPTEPHX2AKR1B1KLKB1
SCHEMBL5176685 0.75 EPHX2 (0.41) F10ROCK2ROCK1EPHX2AKR1B1
SCHEMBL8265923 0.74 F10 (0.63) F10HTTKMT2AROCK2ROCK1

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