SCHEMBL6633829

SCHEMBL6633829

CS(=O)(=O)N(Cc1ccccc1NCc1c[nH]cn1)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.35
ADAMTS5 Q9UNA0 2/20 0.33
TSHR P16473 1/20 0.33
NFE2L2 Q16236 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
NR4A2 P43354 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6633823 1.00 KEAP1 (0.35) KEAP1ADAMTS5TSHRNFE2L2L3MBTL1
SCHEMBL6628391 0.92 CA12 (0.34) KEAP1TSHRNFE2L2MAPK1HTT
SCHEMBL6628394 0.92 CA12 (0.34) KEAP1TSHRNFE2L2MAPK1HTT
SCHEMBL29908082 0.65 LMNA (0.41) KEAP1ADAMTS5NFE2L2
SCHEMBL9118743 0.65 CA1 (0.40) HTT
SCHEMBL9118748 0.65 CA1 (0.40) HTT
SCHEMBL6614754 0.64 KMT2A (0.44) KEAP1NFE2L2
SCHEMBL6628304 0.64 KMT2A (0.44) KEAP1NFE2L2
SCHEMBL6614758 0.64 KMT2A (0.44) KEAP1NFE2L2
SCHEMBL31690300 0.64 CYP1A2 (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO disclosed