SCHEMBL10429334

SCHEMBL10429334

O=c1[nH]nnc2c(-c3ccc4c(c3)CCO4)nsc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
DYRK1A Q13627 4/20 0.40
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
PLA2G10 O15496 1/20 0.38
PLAU P00749 1/20 0.38
ERN1 O75460 2/20 0.37
NPC1 O15118 3/20 0.36
GSK3B P49841 2/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
CLK1 P49759 3/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PDE4A P27815 1/20 0.34

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
SCHEMBL10429340 0.73 NOTUM (0.39) NOTUMRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL10429361 0.71 MAOB (0.36) RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL10429312 0.71 NOTUM (0.39) NOTUM
SCHEMBL10429364 0.70 NOTUM (0.33) NOTUM
SCHEMBL10429367 0.69 HPGD (0.47) NOTUMDYRK1ARAB9ASMN1; SMN2MAPT
SCHEMBL7165524 0.69 GRM5 (0.41) RAB9ASMN1; SMN2ERN1NPC1PDE4A
SCHEMBL10429356 0.69 ALDH1A1 (0.32) SMN1; SMN2
SCHEMBL10429305 0.68 NOTUM (0.42) NOTUMSMN1; SMN2MAPTGSK3BHDAC8
SCHEMBL18006125 0.67 DYRK1A (0.46) NOTUMDYRK1ARAB9ASMN1; SMN2MAPT
SCHEMBL7165222 0.67 F11 (0.40) PDE4A

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-0274654-A2 1,2,3-Triazin-4(3H)-one derivatives, process for their preparation and medicaments containing them F. HOFFMANN-LA ROCHE AG (CH) 1988-07-20 EP claimed
US-4920119-A XANTHINE OXIDASE INHIBITORS; CONTROL OR PREVENTION OF GOUT OR ISCHEMIA HOFFMANN-LA ROCHE INC. (US) 1990-04-24 US disclosed
EP-0274654-A2 1,2,3-Triazin-4(3H)-one derivatives, process for their preparation and medicaments containing them F. HOFFMANN-LA ROCHE AG (CH) 1988-07-20 EP disclosed