SCHEMBL7979573

SCHEMBL7979573

CC(C)Nc1cc(-n2c(=O)n(C)n(C(F)F)c2=O)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP3A4 P08684 2/20 0.38
HCAR3 P49019 2/20 0.37
ALDH1A1 P00352 7/20 0.36
CYP2D6 P10635 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 4/20 0.35
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.32
SLC6A9 P48067 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
GAA P10253 1/20 0.31
GPR174 Q9BXC1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7994197 0.85 MAPT (0.38) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL7991696 0.81
SCHEMBL2967535 0.73 HCAR3 (0.53) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2961182 0.70 HCAR3 (0.49) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL21522808 0.69 HCAR3 (0.48) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL30889005 0.69 HCAR3 (0.48) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5784069 0.67 MAPT (0.49) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL28763394 0.66 HCAR3 (0.48) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL29061680 0.66 HCAR3 (0.58) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL10719012 0.64 MAPT (0.38) MAPTCYP1A2CYP2C9CYP2C19CYP3A4

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-2001090102-A2 6-HETEROCYCLYL-3-OXO-3,4-DIHYDRO-QUINOXALINES BAYER AKTIENGESELLSCHAFT (DE) 2001-11-29 WO disclosed