SCHEMBL7994197

SCHEMBL7994197

Cn1c(=O)n(-c2cc(F)c([N+](=O)[O-])cc2F)c(=O)n1C(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.38
ALDH1A1 P00352 7/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 6/20 0.37
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.35
GAA P10253 3/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 2/20 0.34
ESPL1 Q14674 1/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7979573 0.85 MAPT (0.38) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL27044907 0.75 MAPT (0.39) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL9631118 0.72 PPOX (0.43)
SCHEMBL29174352 0.68 MAPT (0.36) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL22467860 0.68 MAPT (0.35) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL4670199 0.67 TDP1 (0.62) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL27044908 0.67 SMN1; SMN2 (0.40) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL29847854 0.66 MAPT (0.76) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL16513593 0.66 MAPT (0.76) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL9054575 0.65 ALDH1A1 (0.32) MAPTALDH1A1CYP1A2CYP2D6CYP2C9

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