SCHEMBL10333151

SCHEMBL10333151

COc1ccnc(-c2ccccc2Sc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
MAPT P10636 5/20 0.41
HTT P42858 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
AMY1A P0DUB6 2/20 0.40
PDE10A Q9Y233 1/20 0.40
EGFR P00533 1/20 0.40
IGF1R P08069 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
METAP1 P53582 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL10333572 0.87 NOS2 (0.48) NOS3NOS1NOS2MAPTMEN1
SCHEMBL10333243 0.84 NOS2 (0.46) NOS3NOS1NOS2MAPTHTT
SCHEMBL10334040 0.84 NOS2 (0.57) NOS3NOS1NOS2MAPTMEN1
SCHEMBL10333395 0.84 NOS2 (0.45) NOS3NOS1NOS2MAPTMEN1
SCHEMBL10333695 0.81 PDE10A (0.47) NOS3NOS1NOS2MAPTHTT
SCHEMBL10333386 0.81 NOS2 (0.44) NOS3NOS1NOS2ALDH1A1AMY1A
SCHEMBL10333582 0.81 NOS2 (0.43) NOS3NOS1NOS2MAPTHTT
SCHEMBL10333571 0.79 MAPT (0.52) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL10333105 0.79 AMY1A (0.39) SENP1MAPTHTTMEN1KMT2A
SCHEMBL10334112 0.79 NOS2 (0.45) NOS3NOS1NOS2PDE10ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0283504-A1 COMPOUNDS FISONS plc (GB) 1988-09-28 EP claimed
WO-1988002367-A1 COMPOUNDS FISONS PLC (GB) 1988-04-07 WO claimed
EP-0262845-A1 Heterocyclic substituted azole derivatives FISONS plc (GB) 1988-04-06 EP claimed
US-4900751-A 2-Pyridinyl-phenyl-sulphinyl-and-phenyl-thio-benzimidazoles having antiflammatory or gastic acid secretion inhibition activity FISONS PLC (GB) 1990-02-13 US disclosed
EP-0283504-A1 COMPOUNDS FISONS plc (GB) 1988-09-28 EP disclosed
WO-1988002367-A1 COMPOUNDS FISONS PLC (GB) 1988-04-07 WO disclosed
EP-0262845-A1 Heterocyclic substituted azole derivatives FISONS plc (GB) 1988-04-06 EP disclosed