SCHEMBL9711671

SCHEMBL9711671

CC1CC(=O)C(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.65
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
MAPK1 P28482 2/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
KCNMA1 Q12791 1/20 0.38

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
SCHEMBL9132899 0.85 HPD (0.76) HPDMAPTALDH1A1MEN1KMT2A
SCHEMBL9711506 0.84 HPD (0.61) HPDMAPTALDH1A1MEN1KMT2A
SCHEMBL9711492 0.84 HPD (0.43) HPDALDH1A1MEN1KMT2ACYP1A2
SCHEMBL9711453 0.81 HPD (0.73) HPDMAPTALDH1A1MEN1KMT2A
SCHEMBL9711655 0.81 HPD (0.65) HPDMAPTALDH1A1MEN1KMT2A
SCHEMBL9711790 0.80 HPD (0.64) HPDMAPTALDH1A1MEN1KMT2A
Nitisinone SCHEMBL29372670 0.79 HPD (1.00) HPDMAPTALDH1A1MEN1KMT2A
Nitisinone SCHEMBL338795 0.79 HPD (1.00) HPDMAPTALDH1A1MEN1KMT2A
Nitisinone SCHEMBL15537279 0.79 HPD (1.00) HPDMAPTALDH1A1MEN1KMT2A
SCHEMBL9711507 0.79 HPD (0.62) HPDMAPTALDH1A1MEN1KMT2A

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