SCHEMBL9711546

SCHEMBL9711546

CC1(C)CNC(=O)C(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.61
PKM P14618 2/20 0.45
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
KCNMA1 Q12791 1/20 0.37

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
SCHEMBL9711504 0.84 SMN1; SMN2 (0.41) HPDALDH1A1FLT1FLT4KDR
SCHEMBL9133822 0.83 HPD (0.70) HPDPKMMAPTALDH1A1MAPK1
SCHEMBL9711790 0.81 HPD (0.64) HPDPKMMAPTALDH1A1MAPK1
SCHEMBL9711453 0.81 HPD (0.73) HPDPKMMAPTALDH1A1MAPK1
SCHEMBL9711688 0.80 HPD (0.60) HPDPKMMAPTALDH1A1MAPK1
SCHEMBL2460810 0.80 HPD (0.65) HPDPKMMAPTALDH1A1MAPK1
SCHEMBL9711507 0.80 HPD (0.62) HPDPKMMAPTALDH1A1MAPK1
SCHEMBL9137621 0.79 HPD (0.74) HPDPKMMAPTALDH1A1MAPK1
SCHEMBL10377513 0.79 HPD (0.64) HPDPKMMAPTALDH1A1MAPK1
SCHEMBL9711463 0.78 HPD (0.62) HPDPKMMAPTALDH1A1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed