SCHEMBL8288272

SCHEMBL8288272

Cc1cccc(COc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 10/20 0.64
S1PR4 O95977 7/20 0.57
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 1/20 0.47

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
SCHEMBL10227870 0.88 MRGPRX4 (0.53) MRGPRX4S1PR4LMNAMAPTGAA
SCHEMBL29963026 0.86 SYK (0.50) MRGPRX4S1PR4LMNAMAPTGAA
SCHEMBL1016955 0.86 SYK (0.50) MRGPRX4S1PR4LMNAMAPTGAA
SCHEMBL15701539 0.83 MRGPRX4 (0.53) MRGPRX4S1PR4LMNAMAPTGAA
SCHEMBL22225187 0.83 MRGPRX4 (0.46) MRGPRX4S1PR4LMNAMAPTGAA
SCHEMBL29826138 0.82 MRGPRX4 (0.64) MRGPRX4S1PR4MAPTTDP1NPC1
SCHEMBL1015664 0.80 MAPT (0.53) MRGPRX4S1PR4LMNAMAPTNPC1
SCHEMBL22480865 0.78 MRGPRX4 (1.00) MRGPRX4
SCHEMBL2252935 0.77 MRGPRX4 (0.41) MRGPRX4S1PR4NPC1
SCHEMBL15932884 0.76 NPC1 (0.53) MRGPRX4S1PR4LMNAMAPTGAA

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-2005044265-A1 ALKYNES III ASTRAZENECA AB (SE) 2005-05-19 WO disclosed