SCHEMBL9475296

SCHEMBL9475296

CC(=O)Nc1c(OC(F)(F)F)cccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
ALDH3A1 P30838 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
KCNMA1 Q12791 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3449044 0.83 ALDH1A1 (0.56) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL250441 0.82 KMT2A (0.47) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL9185883 0.81 KMT2A (0.56) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL6829343 0.80 MEN1 (0.45) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL5983525 0.80 LMNA (0.51) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL6489977 0.77 ALDH1A1 (0.49) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL9474878 0.77 HDAC1 (0.45) ALDH1A1L3MBTL1KCNK3KCNK9HPGD
SCHEMBL19459312 0.77 KCNJ11 (0.43) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL30625900 0.77 KMT2A (0.50) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL601548 0.77 KMT2A (0.50) MEN1KMT2APOLBALDH1A1HTT

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
US-5236940-A Administering for treatment of medical conditions associated with the effects of glutamate; glutamate-induced convulsions; schizophrenia; sleep disorders RHONE-POULENC SANTE (FR) 1993-08-17 US disclosed