SCHEMBL9119099

SCHEMBL9119099

Cn1c(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.50
TDP1 Q9NUW8 6/20 0.49
CHEK1 O14757 2/20 0.48
POLB P06746 2/20 0.47
BCHE P06276 1/20 0.47
LMNA P02545 3/20 0.44
HSD17B10 Q99714 2/20 0.44
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
ATM Q13315 1/20 0.43
ALOX15 P16050 1/20 0.43
MPI P34949 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42

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
SCHEMBL3520851 0.82 PDE3B (0.47) TDP1CHEK1LMNAHSD17B10PDE3B
SCHEMBL2896019 0.82 HSD17B10 (0.65) TDP1POLBLMNAHSD17B10ALDH1A1
SCHEMBL9667448 0.79 HSD17B10 (0.47) TDP1CHEK1POLBLMNAHSD17B10
SCHEMBL22460138 0.79 BCHE (0.64) MAPK9MAPK10TDP1CHEK1POLB
SCHEMBL24484066 0.79 HSD17B10 (0.47) TDP1POLBLMNAHSD17B10ALDH1A1
SCHEMBL23565310 0.79 ALDH1A1 (0.50) TDP1POLBLMNAHSD17B10ALDH1A1
SCHEMBL3921034 0.79 KMT2A (0.51) TDP1POLBLMNAHSD17B10ALDH1A1
SCHEMBL1544475 0.79 HSD17B10 (0.71) TDP1POLBBCHELMNAHSD17B10
SCHEMBL9667403 0.78 PDE3B (0.43) MAPK9MAPK10TDP1CHEK1HSD17B10
SCHEMBL10555376 0.76 ALDH1A1 (0.53) TDP1POLBLMNAALDH1A1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5436252-A Antiischemic agents, stroke, Alzheimer's or Parkinson's diseases MERRELL DOW PHARMACEUTICALS INC. (US) 1995-07-25 US disclosed
EP-0273310-B1 5-Aryl-3H-1,2,4-triazol-3-ones and their use as anticonvulsants MERRELL DOW PHARMA (US) 1995-06-21 EP disclosed
EP-0273309-B1 5-Aryl-3H-1,2,4-triazol-3-ones and their use in the treatment of neurodegenerative disorders MERRELL DOW PHARMA (US) 1995-01-11 EP disclosed
EP-0273309-A2 5-Aryl-3H-1,2,4-triazol-3-ones and their use in the treatment of neurodegenerative disorders MERRELL DOW PHARMACEUTICALS INC. (US) 1988-07-06 EP disclosed