SCHEMBL8601772

SCHEMBL8601772

C=CCS(=O)(=O)c1c([N+](=O)[O-])c(N)nc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
LMNA P02545 5/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MGMT P16455 1/20 0.38
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.35
NPY1R P25929 1/20 0.34
CYP3A4 P08684 1/20 0.34
RECQL P46063 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
SCHEMBL8603376 0.83 GSK3A (0.41) MAPTLMNAKMT2AALDH1A1HTT
SCHEMBL8598811 0.83 KMT2A (0.40) MAPTLMNAKMT2AALDH1A1HTT
SCHEMBL8561022 0.82 MAPT (0.44) MAPTLMNAKMT2AALDH1A1HTT
SCHEMBL8925738 0.82 GSK3A (0.39) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL8596304 0.82 MAPT (0.38) MAPTLMNAKMT2AALDH1A1HTT
SCHEMBL8595032 0.81 MAPT (0.40) MAPTLMNAKMT2AALDH1A1HTT
SCHEMBL8567025 0.80 MAPT (0.43) MAPTLMNAKMT2AALDH1A1HTT
SCHEMBL8569382 0.79 MAPT (0.39) MAPTLMNAKMT2AALDH1A1HTT
SCHEMBL8597456 0.79 TXNRD1 (0.42) MAPTLMNAKMT2AALDH1A1HTT
SCHEMBL8599452 0.77 MAPT (0.43) MAPTLMNAKMT2AALDH1A1HTT

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