SCHEMBL9412486

SCHEMBL9412486

CNc1c(N)c(=O)[nH]c(=O)n1Cc1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 6/20 0.49
HPGD P15428 4/20 0.49
DAO P14920 1/20 0.49
TYMS P04818 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
PNP P00491 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 2/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
NPC1 O15118 1/20 0.43
G6PD P11413 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 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
SCHEMBL6093318 0.84 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9412493 0.82 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8579118 0.76 DAO (0.58) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7761656 0.76 KMT2A (0.61) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8578124 0.74 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8577647 0.74 DAO (0.52) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1958344 0.74 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9412738 0.74 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7969932 0.73 MTNR1A (0.76) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6093649 0.72 KDM4E (0.80) ALDH1A1MAPTMEN1KMT2AKDM4E

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-0611660-A2 Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1994-08-24 EP disclosed