SCHEMBL8601222

SCHEMBL8601222

CCCCCOc1ccnc([N+](=O)[O-])c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CYP19A1 P11511 4/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MCHR1 Q99705 2/20 0.39
TLR8 Q9NR97 2/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL8563136 0.84 IKBKB (0.45) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL8628083 0.80 CYP19A1 (0.37) MAPTSMN1; SMN2GAANPC1RAB9A
SCHEMBL8599059 0.80 CYP19A1 (0.43) MAPTSMN1; SMN2GAALMNANPC1
SCHEMBL8596386 0.79 S1PR4 (0.58) MAPTLMNANPC1RAB9AMEN1
SCHEMBL8599944 0.79 ALDH1A1 (0.49) MAPTGAALMNANPC1RAB9A
SCHEMBL8600006 0.78 HTT (0.36) MAPTLMNANPC1RAB9AMEN1
SCHEMBL28003388 0.77 BID (0.38) MAPTSMN1; SMN2GAARAB9AMEN1
SCHEMBL28245348 0.77 GABRP (0.38) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL248876 0.75 NPC1 (0.53) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL8598700 0.75 HCAR3 (0.44) MAPTSMN1; SMN2ALDH1A1POLBMAPK1

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