SCHEMBL6628394

SCHEMBL6628394

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CA2 P00918 1/20 0.34
KEAP1 Q14145 3/20 0.33
NFE2L2 Q16236 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
PTPN1 P18031 1/20 0.32
EPOR P19235 1/20 0.32
ATM Q13315 2/20 0.32
POLB P06746 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
SCHEMBL6628391 1.00 CA12 (0.34) CA12CA7CA9CA14CA2
SCHEMBL6633823 0.92 KEAP1 (0.35) KEAP1NFE2L2MAPK1HTTTSHR
SCHEMBL6633829 0.92 KEAP1 (0.35) KEAP1NFE2L2MAPK1HTTTSHR
SCHEMBL6614754 0.75 KMT2A (0.44) CA12CA7CA9CA14CA2
SCHEMBL6614758 0.75 KMT2A (0.44) CA12CA7CA9CA14CA2
SCHEMBL6628304 0.75 KMT2A (0.44) CA12CA7CA9CA14CA2
SCHEMBL6613804 0.71 MMP1 (0.49)
SCHEMBL6613799 0.71 MMP1 (0.49)
SCHEMBL6615305 0.69 MEN1 (0.47) CA12CA7CA9CA14CA2
SCHEMBL6616154 0.69 MEN1 (0.47) CA12CA7CA9CA14CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100376569-C Farnesyl protein transfer inhibitors BRISTOL MYERS SQUIBB CO (US) 2008-03-26 CN disclosed
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
CN-1347881-A Farnesyl protein transferase inhibitor BRISTOL MYERS SQUIBB CO (US) 2002-05-08 CN disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
CN-1214685-A Farnesyl protein transfer inhibitors BRISTOL MYERS SQUIBB CO (US) 1999-04-21 CN 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