SCHEMBL8516997

SCHEMBL8516997

CC(=O)On1c(=O)c(-c2cn(CCCN)c3cc([N+](=O)[O-])ccc23)nc2ncccc21

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 1/20 0.37
TDP1 Q9NUW8 9/20 0.35
CAMK2D Q13557 2/20 0.35
IDO1 P14902 4/20 0.35
GSK3B P49841 2/20 0.34
QPCT Q16769 2/20 0.34

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
SCHEMBL7663691 0.85 ASH1L (0.38) ASH1LTDP1CAMK2DGSK3BQPCT
SCHEMBL8366761 0.84 ASH1L (0.37) ASH1LTDP1
SCHEMBL8516619 0.84 ASH1L (0.43) ASH1LTDP1CAMK2DGSK3BQPCT
SCHEMBL8367882 0.83 RAB9A (0.44) ASH1LTDP1CAMK2DGSK3BQPCT
SCHEMBL7659523 0.82 ASH1L (0.35) ASH1LTDP1
SCHEMBL7654550 0.82 KMT2A (0.36) ASH1LTDP1
SCHEMBL8366774 0.81 ASH1L (0.34) ASH1LTDP1
Acetic Acid SCHEMBL8516995 0.81 ALDH1A1 (0.38) ASH1LTDP1CAMK2DIDO1GSK3B
SCHEMBL8516682 0.79 GSK3B (0.38) CAMK2DGSK3B
Acetic Acid SCHEMBL7815363 0.78 CFTR (0.45) ASH1LTDP1CAMK2D

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
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed