SCHEMBL8601170

SCHEMBL8601170

C=CCSc1nccc(N)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
KMT2A Q03164 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 5/20 0.34
KDM4E B2RXH2 1/20 0.34
MITF O75030 1/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 4/20 0.33
MEN1 O00255 4/20 0.33
USP2 O75604 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL8835861 0.80 SMN1; SMN2 (0.44) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL8596783 0.77 HTT (0.40) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL8567672 0.76 MEN1 (0.60) MAPTKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL8596428 0.75 GPR84 (0.44) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL3874226 0.75 MEN1 (0.36) MAPTKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8600916 0.74 MEN1 (0.61) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL8599537 0.72 KMT2A (0.36) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL8599698 0.71 KMT2A (0.43) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL8597309 0.71 KMT2A (0.38) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL8600118 0.71 MEN1 (0.33) MAPTKMT2ASMN1; SMN2ALDH1A1HTT

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