SCHEMBL9769696

SCHEMBL9769696

Cc1on(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(=O)c1CCl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 3/20 0.43
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
TXNRD1 Q16881 1/20 0.39

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
SCHEMBL9769756 0.80 TSHR (0.48) MEN1KMT2ALMNATSHR
SCHEMBL9769722 0.77 GAA (0.57) GAAALDH1A1KDM4ECYP3A4CYP1A2
SCHEMBL9586675 0.73 GAA (0.52) GAAALDH1A1KDM4ECYP3A4CYP1A2
SCHEMBL9586378 0.69 GAA (0.47) GAAALDH1A1KDM4ECYP3A4CYP1A2
SCHEMBL10467004 0.69 GAA (0.50) GAAALDH1A1KDM4ECYP3A4CYP1A2
SCHEMBL1264449 0.69 ALDH1A1 (0.54) GAAALDH1A1CYP3A4MEN1KMT2A
SCHEMBL995608 0.69 GAA (0.73) GAAALDH1A1KDM4ECYP3A4CYP1A2
SCHEMBL9586765 0.68 KIF11 (0.46) GAAALDH1A1KDM4ECYP3A4CYP1A2
SCHEMBL9769684 0.67 HTT (0.47) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL4416018 0.67 MAPK1 (0.57) GAAALDH1A1KDM4ECYP3A4CYP1A2

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-5071994-A Intermediates for positive working photographic compounds, analgesics; anti-inflammatory agents FUJI PHOTO FILM CO., LTD. (JP) 1991-12-10 US disclosed
US-4950764-A HERBICIDES, BACTERICIDES, ANALGESICS, ANTIINFLAMMATORY AGENT FUJI PHOTO FILM CO., LTD. (JP) 1990-08-21 US disclosed