SCHEMBL10429337

SCHEMBL10429337

O=c1[nH]nnc2c(-c3ccc([N+](=O)[O-])cc3)nsc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.40
NOTUM Q6P988 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
MAPT P10636 4/20 0.36
HPGD P15428 1/20 0.36
APP P05067 1/20 0.36
LMNA P02545 2/20 0.36
TNKS O95271 3/20 0.35
TNKS2 Q9H2K2 3/20 0.35
GUSB P08236 1/20 0.35
NLRP3 Q96P20 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 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
SCHEMBL10429322 0.81 ALDH1A1 (0.37) NOTUMMAPTHPGDLMNAMEN1
SCHEMBL7162696 0.69 PDE4A (0.38) GAAMAPTHPGDLMNAMEN1
SCHEMBL20915705 0.68 XDH (0.49) XDHNOTUMABCC8KCNJ11MGAM
SCHEMBL22364261 0.65 MAPT (0.50) XDHABCC8KCNJ11MAPTHPGD
SCHEMBL14664065 0.63 XDH (0.58) XDHNOTUMABCC8KCNJ11MAPT
SCHEMBL6052044 0.62 GYS1 (0.50) XDHNOTUMGAAMAPTLMNA
SCHEMBL9171329 0.61 GYS1 (0.49) XDHNOTUMGAAMAPTLMNA
Silver SCHEMBL9171322 0.61 GYS1 (0.49) XDHNOTUMGAAMAPTLMNA
SCHEMBL264644 0.61 XDH (0.51) XDHNOTUMABCC8KCNJ11MGAM
SCHEMBL11400509 0.61 RAB9A (0.50) MAPTAPPLMNAMEN1ALDH1A1

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