SCHEMBL8569382

SCHEMBL8569382

Nc1nc2ccccc2c(S(=O)(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
MGMT P16455 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 7/20 0.38
MEN1 O00255 5/20 0.38
NPY1R P25929 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
PSMD14 O00487 1/20 0.38
PRKACA P17612 1/20 0.38
CASP6 P55212 1/20 0.38
S100A4 P26447 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
MAPK1 P28482 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HTT P42858 3/20 0.37
GLA P06280 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8567025 0.87 MAPT (0.43) MAPTMGMTCYP3A4KMT2AMEN1
SCHEMBL842583 0.84 CYP3A4 (0.40) MAPTCYP3A4KMT2AMEN1S100A4
SCHEMBL842584 0.84 CYP3A4 (0.40) MAPTCYP3A4KMT2AMEN1S100A4
SCHEMBL8561022 0.81 MAPT (0.44) MAPTMGMTCYP3A4KMT2APOLB
SCHEMBL8566049 0.80 KDM4E (0.40) MAPTKMT2AMEN1S100A4POLB
SCHEMBL8567950 0.80 CYP3A4 (0.47) MAPTMGMTCYP3A4KMT2AMEN1
SCHEMBL8601772 0.79 MAPT (0.40) MAPTMGMTCYP3A4KMT2AMEN1
SCHEMBL8563164 0.79 MAPT (0.51) MAPTMGMTPOLBSMN1; SMN2MAPK1
SCHEMBL8567514 0.79 S100A4 (0.54) MAPTMGMTCYP3A4KMT2AMEN1
SCHEMBL3953291 0.79 KDM4E (0.52) MAPTMGMTCYP3A4KMT2AMEN1

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