SCHEMBL366723

SCHEMBL366723

CC(=O)c1ccc2cc3ccccn3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
BAZ2B Q9UIF8 8/20 0.43
BAZ2A Q9UIF9 8/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRD9 Q9H8M2 2/20 0.40
BRD4 O60885 2/20 0.40
CYP2A6 P11509 1/20 0.40
KMT2A Q03164 2/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
NSD2 O96028 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
S100A4 P26447 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
SCHEMBL6851190 0.84 BAZ2B (0.45) MAPTALDH1A1BAZ2BBAZ2ACYP1A2
SCHEMBL365475 0.79 SCN9A (0.48)
SCHEMBL366724 0.73 CHRNA7 (0.43) MAPTALDH1A1HPGDL3MBTL1KMT2A
SCHEMBL17397158 0.72 MAPT (0.42) MAPTALDH1A1HPGDBAZ2BBAZ2A
SCHEMBL64923 0.72 ALDH1A1 (0.42) MAPTALDH1A1HPGDL3MBTL1KMT2A
SCHEMBL30307422 0.72 ALDH1A1 (0.42) MAPTALDH1A1HPGDL3MBTL1KMT2A
SCHEMBL367568 0.71 ALDH1A1 (0.44) MAPTALDH1A1HPGDBAZ2BBAZ2A
SCHEMBL366735 0.71 HTT (0.48) MAPTALDH1A1HPGDBAZ2BBAZ2A
Maleic Acid SCHEMBL11114411 0.70 L3MBTL1 (0.47) MAPTALDH1A1HPGDL3MBTL1KMT2A
Fumaric Acid SCHEMBL11114413 0.70 L3MBTL1 (0.47) MAPTALDH1A1HPGDL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed