SCHEMBL10429352

SCHEMBL10429352

O=c1[nH]nnc2c(-c3ccc(OCc4ccccc4)cc3)nccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.45
XDH P47989 1/20 0.42
PTPN1 P18031 1/20 0.41
IP6K1 Q92551 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
MAOA P21397 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
IKBKE Q14164 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL10429297 0.84 NPSR1 (0.47) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL10429348 0.80 CTSS (0.44) XDH
SCHEMBL10429360 0.80 PDE3B (0.50) XDHNPC1MEN1KMT2AALDH1A1
SCHEMBL7166176 0.78 GSTP1 (0.44) GSTP1XDHPTPN1IP6K1NPC1
SCHEMBL18005919 0.70 MAOB (0.55) GSTP1NPC1RAB9AMEN1POLB
SCHEMBL18006090 0.69 MAOB (0.54) GSTP1NPC1RAB9AMEN1POLB
SCHEMBL26070743 0.68 RAB9A (0.44) GSTP1XDHPTPN1NPC1RAB9A
SCHEMBL570398 0.68 IKBKE (0.48) GSTP1NPC1RAB9AMEN1POLB
SCHEMBL15064621 0.67 PRMT5 (0.55) GSTP1IKBKELMNAPRMT5DHODH
SCHEMBL10429345 0.67 TDO2 (0.51) XDHALDH1A1LMNANPSR1

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