SCHEMBL8596304

SCHEMBL8596304

C=CCN(CC=C)S(=O)(=O)c1c([N+](=O)[O-])c(N)nc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
MGMT P16455 1/20 0.36
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 3/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CYP3A4 P08684 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
C1R P00736 1/20 0.34
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL8596283 0.84 MEN1 (0.37) MAPTKMT2AMEN1HTTTSHR
SCHEMBL8601772 0.82 MAPT (0.40) MAPTKMT2AMEN1HTTMGMT
SCHEMBL8599396 0.82 ESR1 (0.38) MAPTKMT2AMEN1HTTTSHR
SCHEMBL8603376 0.81 GSK3A (0.41) MAPTKMT2AMEN1HTTMGMT
SCHEMBL8925738 0.80 GSK3A (0.39) MAPTKMT2AMEN1MGMTLMNA
SCHEMBL8596169 0.79 MAPT (0.41) MAPTKMT2AMEN1HTTMGMT
SCHEMBL8567025 0.78 MAPT (0.43) MAPTKMT2AMEN1HTTMGMT
SCHEMBL8596309 0.77 MEN1 (0.38) MAPTKMT2AMEN1HTTTSHR
SCHEMBL8569382 0.76 MAPT (0.39) MAPTKMT2AMEN1HTTMGMT
SCHEMBL8600276 0.75 ALDH1A1 (0.40) MAPTKMT2AMEN1HTTMGMT

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