SCHEMBL5607668

SCHEMBL5607668

COc1ccc(NC(=O)c2sc(NC(=O)O)nc2C)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.71
KDM4E B2RXH2 4/20 0.71
NPC1 O15118 5/20 0.61
RAB9A P51151 4/20 0.61
ALDH1A1 P00352 7/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
HTT P42858 4/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
NPSR1 Q6W5P4 3/20 0.56
RXFP1 Q9HBX9 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CLK1 P49759 1/20 0.56
HPGD P15428 1/20 0.55
RECQL P46063 1/20 0.55
LMNA P02545 2/20 0.54
HSP90AA1 P07900 1/20 0.54

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
SCHEMBL774205 0.86 MAPT (0.81) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL774069 0.85 LCK (0.67) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL3586328 0.82 RAB9A (0.77) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL3586325 0.80 RAB9A (0.59) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL774093 0.80 LCK (0.78) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3720592 0.78 MAPT (0.51) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL3587162 0.78 NPC1 (0.73) KDM4ENPC1RAB9AALDH1A1MEN1
SCHEMBL6875704 0.77 MAPT (0.65) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL3589868 0.77 RAB9A (0.72) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL3590314 0.77 RAB9A (0.75) MAPTKDM4ENPC1RAB9AALDH1A1

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
EP-1758564-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER Brystol-Myers Squibb Company (US) 2007-03-07 EP disclosed
WO-2005094376-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 WO disclosed