SCHEMBL6972647

SCHEMBL6972647

CC(C)c1nc(CCCOC(N)=O)n(Cc2ccccn2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
PLA2G2A P14555 1/20 0.33
S1PR3 Q99500 5/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90B1 P14625 1/20 0.32
F10 P00742 1/20 0.31
TP53 P04637 1/20 0.31
XIAP P98170 1/20 0.31
BIRC2 Q13490 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
SLC16A3 O15427 1/20 0.31
P2RX3 P56373 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL7084635 0.95 ADRA1D (0.35) ADRA1DPLA2G2AS1PR3HSP90AA1HSP90B1
SCHEMBL6961282 0.94 SMN1; SMN2 (0.35) ADRA1DTLR7PLA2G2AS1PR3F10
SCHEMBL7081480 0.91 ADRA1D (0.34) ADRA1DTLR7PLA2G2AS1PR3HSP90AA1
SCHEMBL6974739 0.91 PLA2G2A (0.35) TLR7PLA2G2AS1PR3LMNAKMT2A
SCHEMBL7086919 0.91 TLR7 (0.37) TLR7PLA2G2AS1PR3LMNATP53
SCHEMBL6972895 0.90 S1PR3 (0.37) TLR7PLA2G2AS1PR3LMNAKDM4E
SCHEMBL6966022 0.90 ADRA1D (0.36) ADRA1DTLR7PLA2G2AS1PR3HSP90AA1
SCHEMBL6965073 0.89 MAPT (0.35) ADRA1DPLA2G2AF10TP53KMT2A
SCHEMBL6970557 0.87 MEN1 (0.34) ADRA1DS1PR3HSP90AA1HSP90B1TP53
SCHEMBL6969765 0.87 SMN1; SMN2 (0.31) LMNASMN1; SMN2KDM4EALDH1A1HPGD

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