SCHEMBL8662385

SCHEMBL8662385

Nc1ccnc(-c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
NPY1R P25929 1/20 0.39

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
SCHEMBL17555898 0.87 MGMT (0.40) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL27580682 0.84 ALDH1A1 (0.44) MEN1ALDH1A1NPY1RTDP1IDO1
SCHEMBL17555818 0.84 ULK1 (0.42) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL8793485 0.82 PDE4D (0.41) MAPTKMT2AMEN1ALDH1A1IDO1
SCHEMBL8792187 0.82 MGMT (0.42) MAPTKMT2AMEN1KDM4EIDO1
SCHEMBL27346509 0.80 CARM1 (0.39) MAPTPKM
SCHEMBL8793065 0.80 PDE3B (0.46) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL10415950 0.80 ABCC8 (0.47) ABCC8KCNJ11MAPTKMT2AMEN1
SCHEMBL2811602 0.80 ALDH1A1 (0.48) ABCC8KCNJ11MAPTKMT2AMEN1
SCHEMBL27527185 0.79 MAPK1 (0.45) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1

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
CN-1060173-C Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 2001-01-03 CN disclosed
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 US disclosed
CN-1118781-A Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 1996-03-20 CN disclosed