SCHEMBL9305213

SCHEMBL9305213

CCCc1cc2nc(Cl)[nH]c2cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.42
PGK1 P00558 1/20 0.40
NPBWR1 P48145 1/20 0.39
PIM3 Q86V86 1/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RIPK1 Q13546 2/20 0.36
EGLN1 Q9GZT9 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
LMNA P02545 2/20 0.35
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35

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
SCHEMBL9305196 0.95 GAA (0.51) GAAKDM4EALDH1A1PGK1NPBWR1
SCHEMBL9305016 0.84 GAA (0.51) GAAKDM4EALDH1A1PGK1NPBWR1
SCHEMBL4364726 0.81 GAA (0.59) GAAALDH1A1PGK1NPBWR1MAPT
SCHEMBL9305007 0.78 GAA (0.51) GAAKDM4EALDH1A1PGK1NPBWR1
SCHEMBL9274357 0.78 MAPT (0.52) GAAALDH1A1PGK1NPBWR1MAPT
SCHEMBL1193034 0.75 GAA (0.49) GAAALDH1A1PGK1MAPTNPC1
SCHEMBL29250318 0.72 SNCA (0.44) KDM4EALDH1A1PIM3MAPTCYP1A2
SCHEMBL10254398 0.71 ALDH1A1 (0.51) ALDH1A1PGK1CYP3A4TSHRGRIA2
SCHEMBL9305210 0.70 ALDH1A1 (0.57) GAAKDM4EALDH1A1PGK1PIM3
SCHEMBL9306173 0.70 ALDH1A1 (0.45) GAAALDH1A1PGK1PIM3MAPT

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-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed