SCHEMBL9318283

SCHEMBL9318283

CCOc1ncc([N+](=O)[O-])[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.38
LMNA P02545 4/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 6/20 0.35
ALDH1A1 P00352 3/20 0.35
PTGS2 P35354 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL12820764 0.78 KDM4C (0.41) KDM4CLMNAPOLBMAPTALDH1A1
SCHEMBL8813561 0.74 GAA (0.42) POLBMAPTALDH1A1GRIN2DGRIN3B
Alcohol SCHEMBL10696050 0.73 ALDH1A1 (0.39) LMNAMAPTALDH1A1TSHRMAPK1
SCHEMBL1187005 0.72
SCHEMBL31074740 0.72 ALDH1A1 (0.43) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL11732631 0.72 MAPT (0.34) LMNAPOLBMAPTALDH1A1MEN1
SCHEMBL9762515 0.70 ALDH1A1 (0.51) LMNAPOLBMAPTALDH1A1MEN1
SCHEMBL29793430 0.70 ALDH1A1 (0.37) LMNAPOLBMAPTALDH1A1GRIN2D
SCHEMBL12441774 0.70 MAPT (0.35) LMNAMAPTALDH1A1GRIN2DGRIN3B
SCHEMBL11617678 0.68 ALDH1A1 (0.34) LMNAMAPTALDH1A1TSHRMAPK1

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
EP-0555352-A4 AGENTS FOR THE TREATMENT OF DISEASES CAUSED BY PARASITIC PROTOZOA AND NEOPLASTIC DISEASES HEALTH RESEARCH INC (US) 1994-12-14 EP disclosed