SCHEMBL10429356

SCHEMBL10429356

CSc1ccc(-c2nsc3c(=O)[nH]nnc23)cc1C#N

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
XDH P47989 3/20 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
SCHEMBL7165222 0.83 F11 (0.40) ALDH1A1KDM4EXDH
SCHEMBL10429327 0.77 XDH (0.47) XDH
SCHEMBL10429323 0.76 MAOB (0.40) XDH
SCHEMBL10429321 0.72 ADORA3 (0.39) ALDH1A1SMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL10429340 0.72 NOTUM (0.39) ALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL10429313 0.71 NOTUM (0.38) ALDH1A1KDM4ESMN1; SMN2KMT2APOLB
SCHEMBL10429339 0.71 NPC1 (0.33) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL10429350 0.71 KDR (0.36) ALDH1A1
SCHEMBL10429322 0.71 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL10429364 0.71 NOTUM (0.33) ALDH1A1KMT2AMEN1

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