SCHEMBL5803983

SCHEMBL5803983

O=C(C[S])Nc1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TYK2 P29597 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NLRP3 Q96P20 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL7291906 0.82 ALDH1A1 (0.61) MAPTL3MBTL1TYK2MEN1KMT2A
SCHEMBL5803985 0.80 MAPT (0.53) MAPTL3MBTL1TYK2MEN1KMT2A
SCHEMBL7704551 0.80 MAPT (0.56) MAPTL3MBTL1TYK2KDM4EALDH1A1
SCHEMBL6327886 0.80 MAPT (0.49) MAPTL3MBTL1TYK2MEN1KMT2A
SCHEMBL10681437 0.78 MEN1 (0.49) MAPTL3MBTL1TYK2MEN1KMT2A
SCHEMBL11437140 0.78 MEN1 (0.55) MAPTL3MBTL1TYK2MEN1KMT2A
Bromide SCHEMBL5470923 0.77 MEN1 (0.47) MAPTL3MBTL1TYK2MEN1KMT2A
SCHEMBL3419678 0.76 NPSR1 (0.59) MAPTTYK2MEN1KMT2ALMNA
SCHEMBL5805446 0.76 KMT2A (0.53) L3MBTL1MEN1KMT2ALMNAKDM4E
SCHEMBL5803890 0.76 KMT2A (0.62) MAPTL3MBTL1MEN1KMT2ALMNA

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-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed