SCHEMBL6497335

SCHEMBL6497335

COc1ccccc1CNC(=O)c1ccc(CC2SC(=O)NC2=O)c(C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 3/20 0.49
HPGD P15428 6/20 0.49
ALDH1A1 P00352 6/20 0.49
CA2 P00918 1/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
APEX1 P27695 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HDAC1 Q13547 1/20 0.43
NPC1 O15118 2/20 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
SCHEMBL6505651 0.80 HPGD (0.49) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL6497330 0.79 PTPN1 (0.48) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL13846776 0.78 CA2 (0.69) LMNAALDH1A1CA2POLBMAPT
SCHEMBL6495951 0.77 HPGD (0.53) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL6504802 0.76 HTT (0.55) LMNAHPGDCA2HTTPOLB
SCHEMBL6498700 0.75 HPGD (0.47) LMNAHPGDALDH1A1CA2HTT
SCHEMBL6501926 0.75 KMT2A (0.45) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL6496500 0.75 HPGD (0.53) LMNAHPGDALDH1A1CA2HTT
SCHEMBL6498811 0.75 HPGD (0.48) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL6503843 0.75 MAPT (0.48) LMNAHPGDALDH1A1CA2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed