SCHEMBL11263407

SCHEMBL11263407

CC(=O)SCC(=O)NC(=O)COc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
ALPL P05186 2/20 0.54
ALPI P09923 2/20 0.54
ALPG P10696 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 2/20 0.51
HPGD P15428 3/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 3/20 0.48
ALOX15 P16050 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
APOBEC3G Q9HC16 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX12 P18054 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL10903296 0.83 KMT2A (0.67) KMT2AALPLALPIALPGMEN1
SCHEMBL11259450 0.76 MEN1 (0.52) KMT2AMEN1GAAHPGDALDH1A1
SCHEMBL10414788 0.76 ALDH1A1 (0.59) KMT2AALPLALPIALPGMEN1
SCHEMBL10964144 0.76 KMT2A (0.57) KMT2AALPLALPIALPGMEN1
SCHEMBL11266771 0.74 ALDH1A1 (0.56) KMT2AMEN1GAAMAPTPOLB
SCHEMBL2858346 0.73 PKM (0.63) KMT2AALPLALPIALPGMEN1
SCHEMBL9344656 0.72 ALDH1A1 (0.72) KMT2AALPLALPIALPGMEN1
SCHEMBL11718062 0.72 THRB (0.51) KMT2AMEN1HPGDMAPTPOLB
Hydrochloric Acid SCHEMBL10955756 0.72 PKM (0.61) KMT2AALPLALPIALPGMEN1
SCHEMBL6186553 0.71 KMT2A (0.56) KMT2AALPLALPIALPGMEN1

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