SCHEMBL7657012

SCHEMBL7657012

CC(=O)Oc1nc2cc3[nH]c(=O)c(-c4cn(CCCN)c5cc([N+](=O)[O-])ccc45)nc3cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
ASH1L Q9NR48 1/20 0.36
TDP1 Q9NUW8 11/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CAMK2D Q13557 1/20 0.32

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
Acetic Acid SCHEMBL7657005 0.88 MAPT (0.37) MAPTASH1LTDP1CAMK2D
Acetic Acid SCHEMBL7815326 0.87 MAPT (0.41) MAPTASH1LTDP1KDM4ESMN1; SMN2
Acetic Acid SCHEMBL8366763 0.87 MAPT (0.38) MAPTASH1LTDP1KDM4EHTT
SCHEMBL7850355 0.86 CAMK2D (0.44) CAMK2D
SCHEMBL7657255 0.86 MAPT (0.34) MAPTASH1LTDP1HTTSMN1; SMN2
Acetic Acid SCHEMBL7817159 0.86 MAPT (0.37) MAPTASH1LTDP1ALDH1A1
Acetic Acid SCHEMBL7663687 0.86 MAPT (0.41) MAPTASH1LTDP1CAMK2D
Acetic Acid SCHEMBL7657247 0.85 ASH1L (0.37) MAPTASH1LTDP1KDM4EALDH1A1
Acetic Acid SCHEMBL7654036 0.85 ASH1L (0.36) MAPTASH1LTDP1CAMK2D
SCHEMBL7654047 0.84 ASH1L (0.35) MAPTASH1LTDP1CAMK2D

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
US-6458792-B1 MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, IMMUNOLOGICAL, BRONCHOPULMONARY, CARDIOVASCULAR, ONCOLOGICAL OR CNS-DEGENERATIVE DISORDERS. ASTRAZENECA AB (SE) 2002-10-01 US disclosed
EP-1071683-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2001-01-31 EP disclosed
WO-1999046264-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed