SCHEMBL6973759

SCHEMBL6973759

CC(C)c1c(Cc2ccccc2)nc(COC(N)=O)n1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6962251 0.82 TDP1 (0.38) TP53MAPTL3MBTL1TSHRKDM4E
SCHEMBL6966931 0.80 MEN1 (0.43) TP53MAPTKDM4EGAASMN1; SMN2
SCHEMBL6972661 0.77 POLB (0.37) L3MBTL1TSHRKDM4EALDH1A1GAA
SCHEMBL6975044 0.77 ENPP2 (0.35) L3MBTL1TSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL14439849 0.76 PLA2G2A (0.41) TP53MAPTL3MBTL1TSHRKDM4E
SCHEMBL6973086 0.76 PIM1 (0.36) TP53MAPTTSHRKDM4EALDH1A1
SCHEMBL27397386 0.74 ENPP2 (0.36) L3MBTL1LMNARECQLKMT2AS1PR3
SCHEMBL27421134 0.74 TP53 (0.35) TP53MAPTKDM4EALDH1A1GAA
SCHEMBL6973410 0.71 LMNA (0.41) MAPTTSHRKDM4EALDH1A1GAA
SCHEMBL7080037 0.71 POLB (0.37) L3MBTL1TSHRKDM4EALDH1A1GAA

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