SCHEMBL6967902

SCHEMBL6967902

CC(C)c1nc(C=O)n(C)c1Sc1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TERT O14746 1/20 0.38
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 2/20 0.36
NOTUM Q6P988 1/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NOD2 Q9HC29 1/20 0.35
CYP1A2 P05177 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTPN11 Q06124 1/20 0.34

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
SCHEMBL6969225 0.87 MAPT (0.33) NPSR1TERTMAPTHTTSMN1; SMN2
SCHEMBL6965624 0.85 NPSR1 (0.36) NPSR1MAPTHPGDHTTNOTUM
SCHEMBL6974042 0.85 TP53 (0.36) NPSR1MEN1KMT2ATDP1L3MBTL1
SCHEMBL6961065 0.85 KDM4E (0.39) NPSR1MEN1KMT2ATDP1L3MBTL1
SCHEMBL6961068 0.85 KDM4E (0.39) NPSR1MEN1KMT2ATDP1L3MBTL1
SCHEMBL6964200 0.84 MAPT (0.37) NPSR1MEN1KMT2AL3MBTL1MAPT
SCHEMBL6973394 0.82 MEN1 (0.42) NPSR1MEN1KMT2ATDP1L3MBTL1
SCHEMBL6964074 0.81 HSP90AA1 (0.42) NPSR1MAPTHPGDHTTSMN1; SMN2
SCHEMBL7084513 0.81 LMNA (0.39) NPSR1MEN1KMT2ATDP1L3MBTL1
SCHEMBL6969927 0.80 IDO1 (0.38) NPSR1MEN1KMT2ATDP1L3MBTL1

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-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed