SCHEMBL10429306

SCHEMBL10429306

N#Cc1cc(-c2nsc3c(=O)[nH]nnc23)ccc1OCC(O)CO

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 12/20 0.42
ABCC4 O15439 1/20 0.37
ABCB11 O95342 1/20 0.37
PGR P06401 1/20 0.37
CHRM1 P11229 1/20 0.37
PDE4A P27815 1/20 0.37
BLVRB P30043 1/20 0.37
TARBP2 Q15633 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
CHEK1 O14757 1/20 0.37

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
SCHEMBL10429327 0.88 XDH (0.47) XDH
SCHEMBL10429332 0.86 XDH (0.50) XDH
SCHEMBL10429330 0.82 XDH (0.38) XDH
SCHEMBL7165222 0.81 F11 (0.40) XDHPDE4ACHEK1
SCHEMBL10429310 0.81 XDH (0.36) XDHABCC4ABCB11PGRCHRM1
SCHEMBL10429356 0.74 ALDH1A1 (0.32) XDH
SCHEMBL7165524 0.70 GRM5 (0.41) PDE4A
SCHEMBL10429340 0.66 NOTUM (0.39)
SCHEMBL7162474 0.66 CTSS (0.37) XDHPDE4A
SCHEMBL17708376 0.65 ALDH1A1 (0.49)

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 2 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