SCHEMBL5819563

SCHEMBL5819563

O=C(O)C(CS)Nc1ccccc1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
MME P08473 4/20 0.43
CPA3 P15088 1/20 0.42
FOLH1 Q04609 1/20 0.42
HRH4 Q9H3N8 1/20 0.42

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
SCHEMBL3272394 0.86 L3MBTL1 (0.55) L3MBTL1MME
SCHEMBL346889 0.80 MME (0.51) L3MBTL1MMEFOLH1
SCHEMBL2761780 0.80 L3MBTL1 (0.52) L3MBTL1MME
SCHEMBL9638522 0.80 RAB9A (0.46) L3MBTL1
SCHEMBL2322993 0.80 RAB9A (0.46) L3MBTL1
SCHEMBL17243106 0.78 SMN1; SMN2 (0.47)
SCHEMBL17243107 0.78 SMN1; SMN2 (0.47)
SCHEMBL30826531 0.76 HDAC1 (0.45) MME
SCHEMBL9066111 0.76 HDAC1 (0.45) MME
SCHEMBL7420136 0.74 ALDH1A1 (0.53) MME

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-2006082228-A1 METHOD FOR SYNTHESISING CYSTEINE DERIVATIVES, IN PARTICULAR THIO CARBAESTERS USED IN THE FORM OF INTERMEDIATE PRODUCTS IN DRUG SYNTHESIS ISOCHEM (FR) 2006-08-10 WO disclosed