SCHEMBL10429348

SCHEMBL10429348

O=c1[nH]nnc2c(-c3ccc(OCc4ccccc4)c(C(F)(F)F)c3)nccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.44
S1PR1 P21453 4/20 0.43
MRGPRX4 Q96LA9 4/20 0.39
S1PR4 O95977 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
AR P10275 1/20 0.37
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
ENPP1 P22413 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
XDH P47989 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL10429318 0.84 PDE4A (0.40) CTSSS1PR1AAK1XDH
SCHEMBL10429354 0.82 CTSS (0.44) CTSSS1PR1MRGPRX4S1PR4S1PR3
SCHEMBL10429352 0.80 GSTP1 (0.45) XDH
SCHEMBL10429345 0.74 TDO2 (0.51) XDH
SCHEMBL10429297 0.73 NPSR1 (0.47)
SCHEMBL10429320 0.71 S1PR1 (0.47) CTSSS1PR1MRGPRX4S1PR4S1PR3
SCHEMBL12648985 0.71 CTSS (0.52) CTSSS1PR1MRGPRX4S1PR4S1PR3
SCHEMBL22309147 0.69 S1PR1 (0.46) CTSSS1PR1MRGPRX4S1PR4S1PR3
SCHEMBL27612935 0.67 CTSS (0.48) CTSSS1PR1MRGPRX4S1PR4S1PR3
SCHEMBL10429360 0.66 PDE3B (0.50) XDH

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