SCHEMBL8599108

SCHEMBL8599108

C=CCNC(=O)c1ccnc(N)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 5/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 6/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 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
SCHEMBL8598112 0.82 SMN1; SMN2 (0.43) SMN1; SMN2HPGDPOLBCYP1A2MEN1
SCHEMBL8599362 0.80 SMN1; SMN2 (0.43) SMN1; SMN2HPGDCYP1A2MEN1KMT2A
SCHEMBL8568952 0.79 HTT (0.52) HPGDCYP1A2MEN1KMT2AMAPT
SCHEMBL8598538 0.78 NAAA (0.45) SMN1; SMN2HPGDPOLBALDH1A1ALOX15
SCHEMBL8598526 0.77 HTT (0.38) SMN1; SMN2HPGDPOLBMEN1KMT2A
SCHEMBL8603232 0.76 GSK3A (0.45) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL8567191 0.76 NAPRT (0.50) SMN1; SMN2CYP1A2MEN1KMT2APKM
SCHEMBL8603015 0.75 ATG4B (0.43) SMN1; SMN2HPGDPOLBCYP1A2MEN1
SCHEMBL8563215 0.74 KMT2A (0.42) SMN1; SMN2POLBMEN1KMT2AMAPT
SCHEMBL8600033 0.74 HPGD (0.50) SMN1; SMN2HPGDPOLBCYP1A2MEN1

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