SCHEMBL9711463

SCHEMBL9711463

CC1(C(F)(F)F)CC(=O)C(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.62
PKM P14618 1/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
LGALS3 P17931 1/20 0.37
LGALS4 P56470 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
SCHEMBL9711790 0.90 HPD (0.64) HPDPKMMAPTALDH1A1MAPK1
SCHEMBL9711794 0.86 HPD (0.60) HPDPKMMAPTALDH1A1MAPK1
SCHEMBL9711592 0.85 HPD (0.61) HPDPKMMAPTALDH1A1MAPK1
SCHEMBL9137621 0.84 HPD (0.74) HPDPKMMAPTALDH1A1MAPK1
SCHEMBL9711806 0.83 HPD (0.64) HPDPKMMAPTALDH1A1MAPK1
SCHEMBL9711612 0.80 HPD (0.64) HPDPKMMAPTALDH1A1MAPK1
SCHEMBL9711453 0.79 HPD (0.73) HPDPKMMAPTALDH1A1MAPK1
SCHEMBL9711671 0.78 HPD (0.65) HPDPKMMAPTALDH1A1MAPK1
SCHEMBL10377513 0.78 HPD (0.64) HPDPKMMAPTALDH1A1MAPK1
SCHEMBL9711546 0.78 HPD (0.61) 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