SCHEMBL6973878

SCHEMBL6973878

CC(C)c1nc(COC(=O)NC(=O)CCl)n(Cc2cccnc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
ENPP2 Q13822 1/20 0.34
TP53 P04637 2/20 0.34
S1PR3 Q99500 4/20 0.33
CACNA1I Q9P0X4 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 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
SCHEMBL6966632 0.92 TDP1 (0.36) MEN1KMT2AALDH1A1ENPP2P2RX3
SCHEMBL6965855 0.91 ENPP2 (0.33) ENPP2P2RX3
SCHEMBL6973746 0.90 ALDH1A1 (0.37) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6973275 0.88 ALDH1A1 (0.36) MEN1KMT2AALDH1A1TP53S1PR3
SCHEMBL6957033 0.87 ADRA1D (0.37) MEN1KMT2AALDH1A1TP53S1PR3
SCHEMBL6972332 0.85 FAAH (0.35) MEN1KMT2AENPP2P2RX3
SCHEMBL6161001 0.85 ENPP2 (0.35) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL7078901 0.84 ALDH1A1 (0.40) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7080182 0.84 MAPT (0.35) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL6167205 0.83 ENPP2 (0.34) MEN1KMT2AALDH1A1LMNAHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP claimed
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