SCHEMBL27909201

SCHEMBL27909201

CC(=O)Oc1cccn(-c2c(C)cc([N+](=O)[O-])cc2C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
HSP90AA1 P07900 1/20 0.40
CCR6 P51684 1/20 0.40
TDP1 Q9NUW8 4/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
ALOX5 P09917 3/20 0.36
ALDH1A1 P00352 6/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGES O14684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
GPR35 Q9HC97 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL27909268 0.86 RECQL (0.51) RECQLHSP90AA1CCR6TDP1POLB
SCHEMBL3424022 0.85 ALDH1A1 (0.43) RECQLTDP1POLBGAAALDH1A1
SCHEMBL3644238 0.79 ALDH1A1 (0.43) TDP1POLBKDM4EALDH1A1MAPK1
SCHEMBL2473570 0.77 ALDH1A1 (0.41) TDP1POLBALDH1A1MAPK1L3MBTL1
SCHEMBL15929085 0.76 MAPT (0.36) TDP1POLBKDM4EALDH1A1MAPK1
SCHEMBL2590559 0.76 CYP1A2 (0.43) CCR6TDP1POLBALDH1A1MAPK1
SCHEMBL3678417 0.75 F2RL3 (0.36) GAAALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL2471712 0.75 RAB9A (0.38) TDP1POLBKDM4EGAAALDH1A1
SCHEMBL12179486 0.74 ALDH1A1 (0.39) KDM4EGAAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL8088675 0.74 RECQL (0.44) RECQLHSP90AA1CCR6TDP1POLB

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
CN-102906071-A Method for producing substituted pyridin-2-one Bayer Pharma AG 2013-01-30 CN disclosed