SCHEMBL22340596

SCHEMBL22340596

COc1ccccc1C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.75
HPGD P15428 2/20 0.75
RXFP1 Q9HBX9 1/20 0.62
CTSD P07339 1/20 0.58
KCNA3 P22001 1/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 1/20 0.58
STAT3 P40763 1/20 0.55
TP53 P04637 2/20 0.55
GLA P06280 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 1/20 0.55
KCNK3 O14649 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL18767127 0.86 ALDH1A1 (1.00) ALDH1A1HPGDCTSDKCNA3NPC1
SCHEMBL18893131 0.83 L3MBTL1 (0.74) ALDH1A1HPGDRXFP1CTSDKCNA3
SCHEMBL30776214 0.82 HPGD (0.68) ALDH1A1HPGDCTSDKCNA3NPC1
SCHEMBL28398272 0.81 HPGD (0.66) ALDH1A1HPGDCTSDKCNA3NPC1
SCHEMBL2251629 0.81 HPGD (0.70) ALDH1A1HPGDRXFP1CTSDKCNA3
SCHEMBL2251625 0.81 HPGD (0.70) ALDH1A1HPGDRXFP1CTSDKCNA3
SCHEMBL2792267 0.81 HPGD (0.70) ALDH1A1HPGDRXFP1CTSDKCNA3
SCHEMBL29894117 0.81 HPGD (0.70) ALDH1A1HPGDRXFP1CTSDKCNA3
SCHEMBL8029750 0.80 HPGD (0.69) ALDH1A1HPGDRXFP1CTSDKCNA3
SCHEMBL24801412 0.79 HPGD (0.68) ALDH1A1HPGDRXFP1CTSDKCNA3

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-2020163236-A1 TREATING LONG QT SYNDROME THE GENERAL HOSPITAL CORPORATION (US) 2020-08-13 WO disclosed