SCHEMBL9216740

SCHEMBL9216740

[c]1cc(Sc2ccccc2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.41
NOS1 P29475 1/20 0.41
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MGLL Q99685 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGIR P43119 1/20 0.33
HTT P42858 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
HTR2C P28335 1/20 0.32
HTR6 P50406 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDR P35968 1/20 0.30
MAPK1 P28482 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL4366554 0.75 MEN1 (0.43) DDAH1NOS1
SCHEMBL7354050 0.72 DDAH1 (0.78) DDAH1NOS1MAOAMAOBALDH1A1
SCHEMBL121708 0.71 NOTUM (0.50) ALDH1A1MAPTSMN1; SMN2HSD17B10MAPK1
SCHEMBL2561310 0.71
Diphenylsulfane SCHEMBL11466727 0.71 HPGD (0.53) DDAH1NOS1MAOAMAOBALDH1A1
Diphenylsulfane SCHEMBL27714827 0.71 HPGD (0.60) DDAH1NOS1MAOAMAOBALDH1A1
Diphenylsulfane SCHEMBL28332331 0.71 HPGD (0.60) DDAH1NOS1MAOAMAOBALDH1A1
Diphenylsulfane SCHEMBL27611905 0.71 HPGD (0.60) DDAH1NOS1MAOAMAOBALDH1A1
Diphenylsulfane SCHEMBL452 0.71 HPGD (0.60) DDAH1NOS1MAOAMAOBALDH1A1
Diphenylsulfane SCHEMBL7109540 0.71 HPGD (0.60) DDAH1NOS1MAOAMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269859-B2 Pyrazolotriazine compounds OTSUKA PHARMA CO LTD (JP) 1995-10-18 EP disclosed
US-4824834-A TREATING GOUT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-04-25 US disclosed
EP-0269859-A2 Pyrazolotriazine compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-06-08 EP disclosed