SCHEMBL11270822

SCHEMBL11270822

CC(=O)NC(=O)CS(=O)(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
HSD11B1 P28845 3/20 0.58
POLB P06746 3/20 0.56
MMP1 P03956 1/20 0.56
MMP2 P08253 1/20 0.56
MMP3 P08254 1/20 0.56
MMP7 P09237 1/20 0.56
MMP9 P14780 1/20 0.56
MMP13 P45452 1/20 0.56
MMP14 P50281 1/20 0.56
ALDH1A1 P00352 3/20 0.55
CA12 O43570 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
CA1 P00915 1/20 0.54
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51

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
SCHEMBL2070966 0.85 KMT2A (0.60) KMT2AHSD11B1POLBMMP1MMP2
SCHEMBL7922108 0.83 KMT2A (0.62) KMT2AHSD11B1POLBMMP1MMP2
SCHEMBL3651298 0.80 HSD11B1 (0.66) KMT2AHSD11B1POLBMMP2MMP7
SCHEMBL2069911 0.79 ALDH1A1 (0.69) KMT2AHSD11B1POLBMMP1MMP2
SCHEMBL7321453 0.78 POLB (0.66) KMT2AHSD11B1POLBMMP2MMP7
SCHEMBL27517526 0.78 CA12 (0.79) KMT2APOLBMMP1MMP2MMP3
SCHEMBL11260658 0.77 ALDH1A1 (0.55) ALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL3899884 0.76 KMT2A (0.68) KMT2AHSD11B1POLBMMP1MMP2
Water SCHEMBL15643605 0.76 ALDH1A1 (0.65) KMT2AHSD11B1POLBMMP1MMP2
SCHEMBL270706 0.76 MMP2 (0.77) KMT2AHSD11B1POLBMMP2MMP7

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