SCHEMBL5297525

SCHEMBL5297525

O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nnn[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 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
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
HPD P32754 1/20 0.39
MAPT P10636 4/20 0.38
MAPK1 P28482 3/20 0.38
TDO2 P48775 2/20 0.38
IDO1 P14902 1/20 0.38
LMNA P02545 2/20 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
SCHEMBL14610390 0.78 GAA (0.42) GAAALDH1A1CYP3A4HPGDALOX15
SCHEMBL9057515 0.77 AR (0.50) ALDH1A1HPGDTSHRKDM4ETDO2
SCHEMBL8003279 0.74 ALDH1A1 (0.49) GAAALDH1A1CYP3A4HPGDALOX15
SCHEMBL13678600 0.73 MAPK1 (0.53) GAAALDH1A1CYP3A4HPGDALOX15
SCHEMBL258621 0.72 ALDH1A1 (0.50) GAAALDH1A1CYP3A4HPGDALOX15
SCHEMBL148988 0.72 ALDH1A1 (0.50) GAAALDH1A1CYP3A4HPGDALOX15
SCHEMBL5458551 0.72 ALDH1A1 (0.50) GAAALDH1A1CYP3A4HPGDALOX15
SCHEMBL2923553 0.72 ALDH1A1 (0.50) GAAALDH1A1CYP3A4HPGDALOX15
SCHEMBL31672179 0.72 ALDH1A1 (0.50) GAAALDH1A1CYP3A4HPGDALOX15
SCHEMBL5237815 0.72 ALDH1A1 (0.50) GAAALDH1A1CYP3A4HPGDALOX15

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
WO-2007014054-A2 BENZENESULFONAMIDE INHIBITOR OF CCR2 CHEMOKINE RECEPTOR GLAXO GROUP LIMTED (GB) 2007-02-01 WO disclosed