SCHEMBL6962017

SCHEMBL6962017

CC(C)c1nc(COCc2ccccc2)n(C)c1Sc1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
VCP P55072 2/20 0.37
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TACR1 P25103 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SLC6A9 P48067 1/20 0.34
CCR2 P41597 1/20 0.34
CCR5 P51681 1/20 0.34
MAPT P10636 2/20 0.33

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
SCHEMBL6969238 0.92 VCP (0.38) TDP1L3MBTL1VCPTACR1
SCHEMBL6966985 0.90 MAPT (0.35) TDP1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL6974703 0.89 TDP1 (0.41) TDP1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL6960598 0.88 TDP1 (0.36) TDP1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL7078933 0.85 MAOB (0.35) TDP1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL6970754 0.84 TDP1 (0.34) TDP1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL6973812 0.83 LMNA (0.39) TDP1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL6964734 0.82 TDP1 (0.33) TDP1VCPTACR1MAOAMAOB
SCHEMBL6968871 0.81 MAOB (0.36) TDP1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL7078163 0.81 MEN1 (0.38) TDP1KMT2AMEN1NPSR1L3MBTL1

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 4 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
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed