SCHEMBL8562999

SCHEMBL8562999

O=[N+]([O-])c1cc(SCc2ccccc2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.49
GSTP1 P09211 1/20 0.46
GSTM2 P28161 1/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ELANE P08246 1/20 0.45
MAOB P27338 1/20 0.45
EGFR P00533 1/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
CTSB P07858 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL8597485 0.81 DHFR (0.45) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL8598414 0.79 MAPT (0.47) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL8567246 0.75 MAPT (0.45) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL8559889 0.75 POLB (0.49) KMT2AMEN1POLBGSTP1GSTM2
SCHEMBL8565327 0.74 MEN1 (0.52) KMT2AMEN1POLBGSTP1GSTM2
SCHEMBL21623731 0.73 MEN1 (0.51) KMT2AMEN1POLBGSTP1GSTM2
SCHEMBL3298254 0.72 KMT2A (0.54) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL8562096 0.72 PIN1 (0.50) KMT2AMEN1POLBMAPTELANE
SCHEMBL8569559 0.72 SMN1; SMN2 (0.59) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL8561159 0.71 SMN1; SMN2 (0.42) KMT2AMEN1POLBMAPTALDH1A1

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