SCHEMBL7983131

SCHEMBL7983131

COc1ccc(C(=O)Nc2cccc(C)c2C)cc1NC[C@@H](N)CS

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
PGGT1B P53609 1/20 0.46
CYP1A2 P05177 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 4/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
HDAC8 Q9BY41 4/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
HTT P42858 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
SCHEMBL7983129 1.00 KDM4E (0.48) KDM4ERXFP1FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8868779 0.99 KDM4E (0.47) KDM4ERXFP1FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8868786 0.99 KDM4E (0.47) KDM4ERXFP1FNTAFNTBPGGT1B
SCHEMBL7993269 0.89 MAPT (0.48) RXFP1CYP1A2KMT2ACYP3A4MAPT
SCHEMBL7993272 0.89 MAPT (0.48) RXFP1CYP1A2KMT2ACYP3A4MAPT
Hydrochloric Acid SCHEMBL8869964 0.88 MAPT (0.47) RXFP1CYP1A2KMT2ACYP3A4MAPT
Hydrochloric Acid SCHEMBL8869970 0.88 MAPT (0.47) RXFP1CYP1A2KMT2ACYP3A4MAPT
SCHEMBL8000772 0.86 KMT2A (0.47) KDM4ERXFP1FNTAFNTBCYP1A2
SCHEMBL8000774 0.86 KMT2A (0.47) KDM4ERXFP1FNTAFNTBCYP1A2
Hydrochloric Acid SCHEMBL7993241 0.85 KMT2A (0.46) KDM4ERXFP1FNTAFNTBCYP1A2

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