SCHEMBL8565327

SCHEMBL8565327

O=[N+]([O-])c1cnc2ccccc2c1SCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.45
GSTP1 P09211 1/20 0.45
GSTM2 P28161 1/20 0.45
PIN1 Q13526 3/20 0.44
EGFR P00533 1/20 0.43
LMNA P02545 1/20 0.42
ELANE P08246 1/20 0.41
MAOB P27338 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL10332242 0.83 POLB (0.44) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL8599760 0.80 POLB (0.41) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL8601694 0.78 ALDH1A1 (0.42) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL8570123 0.76 CYP1A2 (0.48) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL27673396 0.76 ALDH1A1 (0.53) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL8563611 0.75 PIN1 (0.54) MEN1KMT2AHTTPOLBPIN1
SCHEMBL8567296 0.75 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL8560428 0.75 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL8562999 0.74 KMT2A (0.50) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL8562721 0.73 KMT2A (0.55) MEN1KMT2AMAPTALDH1A1HTT

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 4 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
CN-1138033-A Process for produducing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1996-12-18 CN disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed