SCHEMBL6965480

SCHEMBL6965480

CC(C)c1nc(CO)n(CCc2ccccc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CASR P41180 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RHEB Q15382 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL6972502 0.94 POLB (0.38) POLBLMNAMEN1KMT2AMAPT
SCHEMBL6973152 0.93 POLB (0.37) POLBMEN1KMT2AMAPTTDP1
SCHEMBL6968588 0.93 MEN1 (0.37) POLBLMNAMEN1KMT2AMAPT
SCHEMBL6968283 0.92 POLB (0.37) POLBMEN1KMT2ATDP1
SCHEMBL6972573 0.92 POLB (0.37) POLBMEN1KMT2ATDP1
SCHEMBL6964845 0.91 MEN1 (0.35) POLBLMNAMEN1KMT2AMAPT
SCHEMBL7086335 0.91 POLB (0.34) POLBLMNA
SCHEMBL6966848 0.90 TDP1 (0.42) POLBMEN1KMT2AMAPTTDP1
SCHEMBL6961236 0.87 POLB (0.44) POLBLMNAMEN1KMT2AMAPT
SCHEMBL6970813 0.87 KMT2A (0.35) MEN1KMT2ATDP1CYP2C9NPSR1

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