SCHEMBL6974067

SCHEMBL6974067

CC(=O)NCc1nc(C(C)C)c(Sc2cccc(Cl)c2)n1Cc1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
TP53 P04637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
IDO1 P14902 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
NAMPT P43490 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
SCHEMBL6974725 0.92 POLB (0.37) POLBALDH1A1LMNATP53NPSR1
SCHEMBL7079061 0.92 L3MBTL1 (0.35) POLBALDH1A1LMNATP53L3MBTL1
SCHEMBL6973606 0.91 ALDH1A1 (0.46) POLBALDH1A1LMNATP53NPSR1
SCHEMBL7081241 0.90 TP53 (0.36) POLBALDH1A1LMNATP53L3MBTL1
SCHEMBL7082255 0.89 ALDH1A1 (0.41) POLBALDH1A1TP53L3MBTL1TDP1
SCHEMBL6972144 0.89 IDO1 (0.35) POLBALDH1A1LMNATP53NPSR1
SCHEMBL6975217 0.88 TP53 (0.39) POLBLMNATP53NPSR1L3MBTL1
SCHEMBL6957987 0.87 MAPT (0.42) POLBALDH1A1LMNATP53MAPT
SCHEMBL6969739 0.86 POLB (0.38) POLBALDH1A1TP53NPSR1MAPT
SCHEMBL7079909 0.86 IDO1 (0.36) POLBALDH1A1TP53NPSR1L3MBTL1

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