SCHEMBL8596095

SCHEMBL8596095

CCCCCSc1ccnc([N+](=O)[O-])c1N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.41
HASPIN Q8TF76 2/20 0.36
PTGS2 P35354 3/20 0.35
TLR8 Q9NR97 1/20 0.35
MAPT P10636 3/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN9A Q15858 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SCN5A Q14524 1/20 0.34
GSTP1 P09211 3/20 0.34
GSTM2 P28161 3/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8595691 0.81 GPR84 (0.44) GPR84HASPINPTGS2TLR8MAPT
SCHEMBL8600733 0.81 PTGS2 (0.42) GPR84HASPINPTGS2MAPTGAA
SCHEMBL8597309 0.78 KMT2A (0.38) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8600006 0.76 HTT (0.36) TLR8MAPTNPC1RAB9AMEN1
SCHEMBL8601055 0.76 MAPT (0.39) GPR84HASPINTLR8MAPTGAA
SCHEMBL7225374 0.75 GPR84 (0.43) GPR84HASPINPTGS2TLR8MAPT
SCHEMBL8601222 0.75 MAPT (0.42) TLR8MAPTGAASMN1; SMN2NPC1
SCHEMBL28003388 0.75 BID (0.38) TLR8MAPTGAASMN1; SMN2RAB9A
SCHEMBL28245348 0.74 GABRP (0.38) TLR8MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8565267 0.74 MEN1 (0.50) MAPTSMN1; SMN2NPC1RAB9AGSTP1

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-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed