SCHEMBL11267948

SCHEMBL11267948

CC(=O)NC(=O)CSC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
ALDH1A1 P00352 7/20 0.51
KMT2A Q03164 3/20 0.51
GPR139 Q6DWJ6 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.44
PTPN1 P18031 1/20 0.44
GSK3B P49841 1/20 0.44
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.42
AGTR1 P30556 1/20 0.42
HPGD P15428 2/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL11264480 0.91 KMT2A (0.60) MAPTALDH1A1KMT2AGPR139SMN1; SMN2
SCHEMBL11266779 0.74 KMT2A (0.40) MAPTALDH1A1KMT2AGPR139L3MBTL1
SCHEMBL12642206 0.74 GPR139 (0.62) MAPTALDH1A1KMT2AGPR139SMN1; SMN2
SCHEMBL11267199 0.73 SMN1; SMN2 (0.44) MAPTALDH1A1KMT2ASMN1; SMN2PTPN1
SCHEMBL9371115 0.72 ALDH1A1 (0.51) MAPTALDH1A1KMT2AGPR139SMN1; SMN2
SCHEMBL17702607 0.72 SMN1; SMN2 (0.56) MAPTALDH1A1SMN1; SMN2L3MBTL1PTPN1
SCHEMBL11259579 0.72 PAM (0.62) ALDH1A1KMT2AL3MBTL1KDM4EHPGD
Biphenyl SCHEMBL28188851 0.72 SMN1; SMN2 (0.56) MAPTALDH1A1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL11261370 0.71 MTNR1A (0.41) MAPTALDH1A1KMT2AGPR139L3MBTL1
SCHEMBL11266780 0.71 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4329363-A Substituted mercapto acid amides and their use MERCK & CO., INC. (US) 1982-05-11 US disclosed
US-4216160-A IMMUNOREGULANTS FOR CORRECTING AN INBALANCE OF IMMUNE HOMEOSTASIS MERCK & CO., INC. (US) 1980-08-05 US disclosed