SCHEMBL8065171

SCHEMBL8065171

CC[C@H](C)C(CSC(C)(Cc1ccccc1)C(=O)N[C@@H]1CCOC1=O)NCC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
SCN9A Q15858 3/20 0.33
ATM Q13315 1/20 0.33
ADORA1 P30542 1/20 0.33
RAB9A P51151 1/20 0.33
REN P00797 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KLK7 P49862 1/20 0.32
KLK5 Q9Y337 1/20 0.32

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
SCHEMBL8065509 0.90 KMT2A (0.33) SYKKMT2AMEN1CYP1A2SCN9A
SCHEMBL8065165 0.88 KMT2A (0.32) SYKKMT2AMEN1CYP1A2SCN9A
SCHEMBL8072925 0.88 KMT2A (0.40) KMT2AMEN1CYP1A2SCN9AATM
SCHEMBL5891423 0.84 FNTA (0.39) KMT2ASCN9AATMREN
SCHEMBL8079882 0.84 FNTA (0.39) KMT2ASCN9AATMREN
SCHEMBL8075177 0.84 KDM4E (0.34) SCN9AADORA1REN
SCHEMBL8075650 0.82 CTRB1 (0.34) SCN9AADORA1REN
SCHEMBL8075466 0.82 SCN9A (0.33) SCN9AADORA1REN
SCHEMBL8961398 0.82 SCN9A (0.45) KMT2ASCN9AREN
SCHEMBL5891464 0.81 MEN1 (0.37) KMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666844-B1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-08-23 EP disclosed
EP-0666844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1995-08-16 EP disclosed
WO-1994010138-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1994-05-11 WO disclosed