SCHEMBL9585232

SCHEMBL9585232

Cc1nc(OCc2ccccc2)c(C=Cc2nc3ccccc3o2)cc1C(C)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ATP4A P20648 10/20 0.37
ATP4B P51164 10/20 0.37
STAT3 P40763 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
APP P05067 1/20 0.36
SNCA P37840 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL9585229 1.00 L3MBTL1 (0.40) L3MBTL1HTTALDH1A1LMNAHPGD
SCHEMBL9338293 0.83 L3MBTL1 (0.43) L3MBTL1HTTATP4AATP4BSTAT3
SCHEMBL9336639 0.83 L3MBTL1 (0.43) L3MBTL1HTTATP4AATP4BSTAT3
SCHEMBL9846253 0.83 L3MBTL1 (0.40) L3MBTL1HTTATP4AATP4BSTAT3
SCHEMBL9846252 0.83 L3MBTL1 (0.40) L3MBTL1HTTATP4AATP4BSTAT3
SCHEMBL9846142 0.82 MEN1 (0.41) L3MBTL1ALDH1A1ATP4AATP4BSMN1; SMN2
SCHEMBL9846147 0.82 MEN1 (0.41) L3MBTL1ALDH1A1ATP4AATP4BSMN1; SMN2
SCHEMBL9846231 0.82 L3MBTL1 (0.41) L3MBTL1HTTATP4AATP4BSTAT3
SCHEMBL9846237 0.82 L3MBTL1 (0.41) L3MBTL1HTTATP4AATP4BSTAT3
SCHEMBL9846138 0.81 L3MBTL1 (0.40) L3MBTL1HTTATP4AATP4BSTAT3

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
US-5185251-A Treatment of HIV and AIDS MERCK & CO., INC. (US) 1993-02-09 US disclosed