SCHEMBL10429338

SCHEMBL10429338

O=c1[nH]nnc2c1cnn2-c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 3/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
EPHX2 P34913 1/20 0.40
CCR1 P32246 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL10429355 0.82 DAPK3 (0.52) KMT2AMAPTSMN1; SMN2HPGDLMNA
SCHEMBL10429315 0.80 ALDH1A1 (0.50) KMT2AHTTMAPTMEN1SMN1; SMN2
SCHEMBL19352046 0.72 KMT2A (0.46) KMT2AHTTMAPTMEN1GAA
SCHEMBL8311055 0.71 PDE9A (0.60) KMT2AHTTMAPTMEN1SMN1; SMN2
SCHEMBL2161237 0.71 HTT (0.58) KMT2AHTTMAPTMEN1GAA
SCHEMBL23163876 0.70 NPC1 (0.49) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL29773327 0.69 CCR1 (0.55) KMT2AMAPTMEN1SMN1; SMN2POLB
SCHEMBL10429308 0.69 SMN1; SMN2 (0.50) KMT2AHTTMAPTMEN1GAA
SCHEMBL10429351 0.69 LMNA (0.44) HTTMAPTSMN1; SMN2L3MBTL1CYP1A2
SCHEMBL29773360 0.69 POLB (0.56) KMT2AHTTMAPTMEN1GAA

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