SCHEMBL8264809

SCHEMBL8264809

Cc1cc(C(=O)NCc2ccc(C(=N)N)cc2OCC(N)=O)on1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
USP2 O75604 1/20 0.45
F10 P00742 4/20 0.43
F2 P00734 2/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PLAU P00749 1/20 0.40
F2RL1 P55085 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KLKB1 P03952 2/20 0.37
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
Acetic Acid SCHEMBL5177298 0.97 F10 (0.45) POLBUSP2F10F2KMT2A
SCHEMBL8266805 0.85 ALDH1A1 (0.48) F10F2HTTALDH1A1PLAU
Acetic Acid SCHEMBL5176437 0.82 CYP1A2 (0.47) F10F2HTTALDH1A1PLAU
Acetic Acid SCHEMBL5089036 0.79 F10 (0.46) USP2F10F2ALDH1A1PLAU
SCHEMBL8265544 0.79 F10 (0.43) F10F2ALDH1A1PLAUKLKB1
SCHEMBL5188933 0.79 F10 (0.44) USP2F10F2ALDH1A1PLAU
SCHEMBL8264943 0.79 F10 (0.54) F10F2HTTALDH1A1PLAU
SCHEMBL8266386 0.78 F10 (0.45) POLBF10F2PLAUNPC1
SCHEMBL8267078 0.78 F10 (0.44) F10F2PLAUKLKB1MAPT
Hydrochloric Acid SCHEMBL5088330 0.78 F10 (0.45) USP2F10F2ALDH1A1PLAU

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