SCHEMBL7901314

SCHEMBL7901314

CN(C)/C=C/C(=O)c1nn(-c2ccc(O)cc2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 5/20 0.46
POLB P06746 3/20 0.46
CYP2C9 P11712 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
UBE2N P61088 4/20 0.42
HTT P42858 1/20 0.38

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
SCHEMBL518426 0.90 KMT2A (0.59) KMT2AALDH1A1POLBCYP2C9L3MBTL1
SCHEMBL518427 0.90 KMT2A (0.59) KMT2AALDH1A1POLBCYP2C9L3MBTL1
SCHEMBL518576 0.89 KMT2A (0.61) KMT2AALDH1A1POLBCYP2C9L3MBTL1
SCHEMBL518577 0.89 KMT2A (0.61) KMT2AALDH1A1POLBCYP2C9L3MBTL1
SCHEMBL518765 0.89 MAPT (0.58) KMT2AALDH1A1POLBCYP2C9L3MBTL1
SCHEMBL13260236 0.89 ALDH1A1 (0.45) KMT2AALDH1A1POLBCYP2C9L3MBTL1
SCHEMBL518764 0.89 MAPT (0.58) KMT2AALDH1A1POLBCYP2C9L3MBTL1
SCHEMBL8370640 0.89 KMT2A (0.45) KMT2AALDH1A1POLBCYP2C9L3MBTL1
SCHEMBL519441 0.88 CYP2C9 (0.61) KMT2AALDH1A1POLBCYP2C9L3MBTL1
SCHEMBL519440 0.88 CYP2C9 (0.61) KMT2AALDH1A1POLBCYP2C9L3MBTL1

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-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed