SCHEMBL8224874

SCHEMBL8224874

NC(=O)c1ccc(/C=N/O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
ACHE P22303 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ESRRG P62508 1/20 0.50
MAPT P10636 3/20 0.49
GFER P55789 1/20 0.49
PARP10 Q53GL7 3/20 0.48
PARP3 Q9Y6F1 1/20 0.48
RAB9A P51151 3/20 0.47
PARP4 Q9UKK3 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PARP15 Q460N3 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP16 Q8N5Y8 1/20 0.45
PARP11 Q9NR21 1/20 0.45
PARP1 P09874 2/20 0.44
F2 P00734 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL740549 1.00 KMT2A (0.67) KMT2AACHEL3MBTL1KDM4EESRRG
SCHEMBL2163478 0.80 KMT2A (1.00) KMT2AL3MBTL1KDM4EMAPTGFER
SCHEMBL2229059 0.80 KMT2A (1.00) KMT2AL3MBTL1KDM4EMAPTGFER
SCHEMBL2163477 0.80 KMT2A (1.00) KMT2AL3MBTL1KDM4EMAPTGFER
SCHEMBL9938969 0.78 KDM1A (0.60) KMT2AACHEL3MBTL1KDM4EMAPT
SCHEMBL21215365 0.78 KDM1A (0.60) KMT2AACHEL3MBTL1KDM4EMAPT
SCHEMBL9938975 0.78 KDM1A (0.60) KMT2AACHEL3MBTL1KDM4EMAPT
SCHEMBL4275683 0.78 KMT2A (0.64) KMT2AACHEL3MBTL1KDM4EMAPT
SCHEMBL27198359 0.78 KMT2A (0.64) KMT2AACHEL3MBTL1KDM4EMAPT
SCHEMBL5668373 0.78 KMT2A (0.64) KMT2AACHEL3MBTL1KDM4EMAPT

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-2007115403-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2007-10-18 WO disclosed