SCHEMBL6973497

SCHEMBL6973497

CC(C)c1nc(CCCOC(N)=O)n(Cc2cccnc2)c1Sc1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MCL1 Q07820 3/20 0.35
FKBP1A P62942 2/20 0.35
ADRA1D P25100 1/20 0.34
TP53 P04637 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRA5 P31644 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TLR7 Q9NYK1 2/20 0.33
THRB P10828 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
SCHEMBL6973316 0.95 ALDH1A1 (0.39) ALDH1A1LMNAMCL1ADRA1DTP53
SCHEMBL6966597 0.94 FKBP1A (0.35) LMNAMCL1FKBP1AADRA1DGABRA1
SCHEMBL6965960 0.92 LMNA (0.34) ALDH1A1LMNAKDM4EMAPTHPGD
SCHEMBL6969475 0.92 ALDH1A1 (0.37) ALDH1A1LMNAMCL1ADRA1DTP53
SCHEMBL6969763 0.91 GRIN1 (0.35) LMNAFKBP1AGRIN1GRIN2BTLR7
SCHEMBL6967707 0.90 ALDH1A1 (0.40) ALDH1A1LMNAADRA1DTP53GABRA1
SCHEMBL6971258 0.90 LMNA (0.40) LMNAFKBP1ATLR7
SCHEMBL8492927 0.89 LMNA (0.38) ALDH1A1LMNAKDM4EMAPTHPGD
SCHEMBL6966178 0.89 ADRA1D (0.36) ALDH1A1MCL1ADRA1DTP53GABRA1
SCHEMBL7086211 0.88 ALDH1A1 (0.39) ALDH1A1LMNAMCL1TP53GABRA1

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