SCHEMBL6973223

SCHEMBL6973223

CC(C)c1nc(CCOC(N)=O)n(Cc2cccc(N)c2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TLR7 Q9NYK1 2/20 0.32
P2RX3 P56373 3/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7081410 0.95 LMNA (0.35) TDP1LMNAHPGDKDM4EALDH1A1
SCHEMBL6975100 0.91 TDP1 (0.33) TDP1LMNAHPGDMAPTTLR7
SCHEMBL6966285 0.91 P2RX3 (0.33) TDP1HPGDKDM4EALDH1A1P2RX3
SCHEMBL6974217 0.90 TLR7 (0.32) TLR7
SCHEMBL8492927 0.89 LMNA (0.38) TDP1LMNAHPGDKDM4EALDH1A1
SCHEMBL6967867 0.88 CCR2 (0.40) TDP1LMNAHPGDKDM4EALDH1A1
SCHEMBL6973396 0.88 PIM1 (0.34) TDP1P2RX3MEN1KMT2A
SCHEMBL6966178 0.87 ADRA1D (0.36) ALDH1A1P2RX3MEN1KMT2A
SCHEMBL6969515 0.87 TLR7 (0.35) TDP1LMNAHPGDKDM4EALDH1A1
SCHEMBL6962112 0.86 PPARG (0.34) LMNATLR7P2RX3

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