SCHEMBL9748700

SCHEMBL9748700

CC(=O)c1ccc2c([N+](=O)[O-])c(N)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.42
CYP2A6 P11509 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
RECQL P46063 1/20 0.40
CYP3A4 P08684 1/20 0.40
PRKCI P41743 1/20 0.40
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
SLC6A5 Q9Y345 1/20 0.38

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
SCHEMBL9747321 0.81 ALDH1A1 (0.49) MAPTALDH1A1HPGDMAPK1POLB
SCHEMBL8691455 0.78 TDP1 (0.52) ALDH1A1ESR1ESR2CYP3A4TSHR
Acetic Acid SCHEMBL8609982 0.76 TSHR (0.57) MAPTALDH1A1HPGDLMNAMEN1
SCHEMBL6121655 0.75 CYP3A4 (0.44) MAPTALDH1A1POLBLMNAMEN1
SCHEMBL18829453 0.75 CYP3A4 (0.44) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL263311 0.74 LMNA (0.72) MAPTALDH1A1MAPK1POLBL3MBTL1
SCHEMBL29793639 0.74 LMNA (0.72) MAPTALDH1A1MAPK1POLBL3MBTL1
SCHEMBL12170111 0.73 MEN1 (0.48) MAPTALDH1A1POLBLMNAMEN1
SCHEMBL9747000 0.73 CA2 (0.49) MAPTALDH1A1POLBLMNAMEN1
SCHEMBL29642531 0.73 MAPT (0.56) MAPTALDH1A1HPGDMAPK1L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511152-A2 Quinoxaline compounds, their preparation and use NOVO NORDISK A/S (DK) 1992-10-28 EP disclosed