SCHEMBL8559255

SCHEMBL8559255

O=[N+]([O-])c1ccc2nc(SCc3ccccc3)[nH]c2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.73
SMN1; SMN2 Q16637 5/20 0.73
NPC1 O15118 3/20 0.73
RAB9A P51151 3/20 0.73
LMNA P02545 3/20 0.73
TP53 P04637 1/20 0.73
HTT P42858 2/20 0.72
ALDH1A1 P00352 4/20 0.71
HPGD P15428 4/20 0.71
NPSR1 Q6W5P4 2/20 0.71
CYP2D6 P10635 2/20 0.71
CYP2C9 P11712 2/20 0.71
CYP2C19 P33261 2/20 0.71
CYP1A2 P05177 1/20 0.71
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
PLA2G1B P04054 1/20 0.65
ATG4B Q9Y4P1 1/20 0.65
RIPK1 Q13546 1/20 0.64
GRIN2B Q13224 2/20 0.61

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
SCHEMBL5504989 0.90 MAPT (0.73) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL18757895 0.80 TXN (0.70) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL15693643 0.79 MAPT (0.67) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6210308 0.78 KCNH2 (0.84) MAPTLMNAHTTALDH1A1NPSR1
SCHEMBL15693641 0.78 MAPT (0.75) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6773598 0.78 RIPK1 (1.00) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL28720173 0.78 HTT (0.76) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL15693637 0.78 HTT (0.69) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL15693638 0.78 HTT (0.69) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL28721480 0.77 SMN1; SMN2 (0.72) MAPTSMN1; SMN2NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0843671-A1 HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1998-05-27 EP disclosed
WO-1997003069-A1 HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1997-01-30 WO disclosed