SCHEMBL11114380

SCHEMBL11114380

NC(=O)C(CCCOc1cccc(C=O)c1[N+](=O)[O-])N1CCCC2CCCCC21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAD52 P43351 1/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL11116583 0.97 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ARAD52KDM4E
SCHEMBL11008698 0.96 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ARAD52KDM4E
SCHEMBL10376145 0.82 POLB (0.31) ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL7306837 0.82 KDM4E (0.30) KDM4E
SCHEMBL11118319 0.81 HRH3 (0.37) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL11008990 0.79 KMT2A (0.31) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL11113955 0.78 KDM4E (0.35) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL10375872 0.78 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ARAD52KDM4E
SCHEMBL7306833 0.77 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ARAD52KDM4E
SCHEMBL10374486 0.77 ALDH1A1 (0.33) ALDH1A1MAPTHRH3

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-0116948-A2 (2-Oxo-1,2,3,5-tetrahydroimidazo-(2,1-b)quinazolinyl)-oxyalkyl-amides SYNTEX (U.S.A.) INC. (US) 1984-08-29 EP disclosed