SCHEMBL10429310

SCHEMBL10429310

N#Cc1cc(-c2nsc3c(=O)n(-c4ccc(OCC(O)CO)c(C#N)c4)nnc23)ccc1OCC(O)CO

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.36
ABCC4 O15439 1/20 0.34
ABCB11 O95342 1/20 0.34
PGR P06401 1/20 0.34
CHRM1 P11229 1/20 0.34
PDE4A P27815 1/20 0.34
BLVRB P30043 1/20 0.34
TARBP2 Q15633 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
S1PR1 P21453 1/20 0.33

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
SCHEMBL10429306 0.81 XDH (0.42) XDHABCC4ABCB11PGRCHRM1
SCHEMBL10429327 0.68 XDH (0.47) XDHS1PR1
SCHEMBL10429332 0.67 XDH (0.50) XDH
SCHEMBL10429330 0.63 XDH (0.38) XDH
SCHEMBL17708376 0.62 ALDH1A1 (0.49)
SCHEMBL7165222 0.61 F11 (0.40) XDHPDE4AS1PR1
SCHEMBL19836420 0.61 ACHE (0.46) XDH
SCHEMBL17708086 0.60 VDR (0.49)
SCHEMBL11454087 0.59 HTR1A (0.63)
SCHEMBL19836422 0.58 SLC6A2 (0.46)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4920119-A XANTHINE OXIDASE INHIBITORS; CONTROL OR PREVENTION OF GOUT OR ISCHEMIA HOFFMANN-LA ROCHE INC. (US) 1990-04-24 US claimed