SCHEMBL8000422

SCHEMBL8000422

Cc1cccc(NC(=O)c2ccccc2NC[C@@H](N)CS)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
FNTA P49354 2/20 0.49
FNTB P49356 2/20 0.49
SLC10A2 Q12908 1/20 0.48
SLC10A1 Q14973 1/20 0.48
SLC10A6 Q3KNW5 1/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KCNK3 O14649 3/20 0.47
KCNK9 Q9NPC2 3/20 0.47
RXFP1 Q9HBX9 2/20 0.47
MAPT P10636 1/20 0.46
GRM5 P41594 1/20 0.45

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
SCHEMBL8000420 1.00 MEN1 (0.53) MEN1KMT2AALDH1A1L3MBTL1FNTA
Trifluoroacetic Acid SCHEMBL7997330 0.93 MEN1 (0.49) MEN1KMT2AALDH1A1L3MBTL1FNTA
Trifluoroacetic Acid SCHEMBL7997333 0.93 MEN1 (0.49) MEN1KMT2AALDH1A1L3MBTL1FNTA
SCHEMBL9471092 0.78 MEN1 (0.64) MEN1KMT2AALDH1A1L3MBTL1SLC10A2
SCHEMBL7997160 0.78 F2R (0.48) MEN1KMT2AALDH1A1FNTAFNTB
SCHEMBL7997161 0.78 F2R (0.48) MEN1KMT2AALDH1A1FNTAFNTB
Hydrochloric Acid SCHEMBL8868826 0.77 F2R (0.47) MEN1KMT2AALDH1A1FNTAFNTB
Hydrochloric Acid SCHEMBL8868833 0.77 F2R (0.47) MEN1KMT2AALDH1A1FNTAFNTB
SCHEMBL12812751 0.76 MEN1 (0.68) MEN1KMT2AALDH1A1L3MBTL1SLC10A2
SCHEMBL27134479 0.75 RXFP1 (0.67) MEN1KMT2AALDH1A1L3MBTL1SLC10A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817629-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-03-08 EP claimed
EP-0817629-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-14 EP claimed
WO-1996030014-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO claimed
EP-0817629-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-03-08 EP disclosed
EP-0817629-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-14 EP disclosed
US-5631280-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1997-05-20 US disclosed
WO-1996030014-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed