SCHEMBL8564800

SCHEMBL8564800

O=[N+]([O-])c1cnc2ccccc2c1S(=O)(=O)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.53
CYP19A1 P11511 2/20 0.47
LMNA P02545 3/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SLC12A2 P55011 1/20 0.45
SLC12A5 Q9H2X9 1/20 0.45
POLB P06746 1/20 0.44
EGFR P00533 1/20 0.44
NPY1R P25929 1/20 0.43
NPY5R Q15761 1/20 0.43
GRM5 P41594 1/20 0.42
KEAP1 Q14145 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CA12 O43570 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL8599584 0.82 MEN1 (0.39) VCAM1GAAMAPTALDH1A1POLB
SCHEMBL8570216 0.81 TXNRD1 (0.48) LMNAMAPTALDH1A1POLBEGFR
SCHEMBL8598050 0.80 ALDH1A1 (0.42) LMNAGAAMAPTALDH1A1POLB
SCHEMBL8562983 0.78 PIN1 (0.48) LMNAMAPTALDH1A1POLBEGFR
SCHEMBL8563164 0.78 MAPT (0.51) VCAM1LMNAMAPTALDH1A1POLB
SCHEMBL8567087 0.77 VCAM1 (0.46) VCAM1CYP19A1LMNAGAAMAPT
SCHEMBL8562721 0.77 KMT2A (0.55) LMNAMAPTALDH1A1POLBEGFR
SCHEMBL8561794 0.77 VCAM1 (0.57) VCAM1CYP19A1LMNAGAAMAPT
SCHEMBL8560319 0.76 POLB (0.46) GAAMAPTALDH1A1POLBMEN1
SCHEMBL8562402 0.76 POLB (0.46) VCAM1GAAMAPTALDH1A1POLB

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