SCHEMBL10429302

SCHEMBL10429302

O=c1[nH]nnc2c(-c3ccc(Cc4ccccc4)cc3)nsc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
XDH P47989 1/20 0.35
DAO P14920 2/20 0.35
PARP1 P09874 1/20 0.34
AR P10275 1/20 0.34
ROCK2 O75116 4/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAOB P27338 1/20 0.33
LTA4H P09960 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2121780 0.88 NPSR1 (0.40) HPGDL3MBTL1XDHALDH1A1MEN1
SCHEMBL10429313 0.85 NOTUM (0.38) HPGDL3MBTL1ALDH1A1TDP1CA12
SCHEMBL7166176 0.84 GSTP1 (0.44) HPGDL3MBTL1XDHMAOBMEN1
SCHEMBL10429350 0.80 KDR (0.36) HPGDPARP1ALDH1A1
SCHEMBL10429322 0.80 ALDH1A1 (0.37) HPGDL3MBTL1ALDH1A1TDP1CA12
SCHEMBL10429347 0.79 ROCK2 (0.50) ROCK2ALDH1A1CYP2C9MAOBMAPT
SCHEMBL10429346 0.79 HPGD (0.32) HPGDL3MBTL1
SCHEMBL10429340 0.78 NOTUM (0.39) HPGDARALDH1A1CYP2C9MAOB
SCHEMBL10429367 0.76 HPGD (0.47) HPGDL3MBTL1ALDH1A1CYP2C9MEN1
SCHEMBL10429337 0.75 XDH (0.40) HPGDXDHPARP1ALDH1A1MAOB

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