SCHEMBL29174352

SCHEMBL29174352

Cn1c(C(C)(F)F)cc(=O)n(-c2cc(F)c([N+](=O)[O-])cc2F)c1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.36
ALDH1A1 P00352 7/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 5/20 0.35
ESPL1 Q14674 1/20 0.35
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 2/20 0.33
MAPK1 P28482 2/20 0.32

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
SCHEMBL1527291 0.91 MAPT (0.36) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7038526 0.86 ESPL1 (0.35) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL27044907 0.82 MAPT (0.39) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL30921032 0.81 MAPT (0.34) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL30839879 0.81 L3MBTL1 (0.45) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL30839877 0.81 L3MBTL1 (0.45) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL28736969 0.79 MAPT (0.33) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL13397511 0.79 MAPT (0.37) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7684644 0.79 ALDH1A1 (0.34) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL8408460 0.79 MAPT (0.41) 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
CN-117751102-A Herbicidal phenyluracils 巴斯夫欧洲公司 2024-03-22 CN disclosed