SCHEMBL6974739

SCHEMBL6974739

Cc1cc(C)cc(Sc2c(C(C)C)nc(CCCOC(N)=O)n2Cc2ccccn2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.35
TLR7 Q9NYK1 1/20 0.34
S1PR3 Q99500 9/20 0.33
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
BRD4 O60885 1/20 0.31
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL6976014 0.95 PLA2G2A (0.35) PLA2G2AS1PR3KDM4EALDH1A1KMT2A
SCHEMBL7086919 0.91 TLR7 (0.37) PLA2G2ATLR7S1PR3LMNAKDM4E
SCHEMBL6972895 0.91 S1PR3 (0.37) PLA2G2ATLR7S1PR3LMNAKDM4E
SCHEMBL6972647 0.91 ADRA1D (0.34) PLA2G2ATLR7S1PR3LMNAKDM4E
SCHEMBL7082317 0.90 PLA2G2A (0.36) PLA2G2ATLR7S1PR3KDM4EALDH1A1
SCHEMBL6975529 0.88 LMNA (0.41) TLR7LMNAKDM4EALDH1A1POLB
SCHEMBL6961282 0.88 SMN1; SMN2 (0.35) PLA2G2ATLR7S1PR3ALDH1A1KMT2A
SCHEMBL7087646 0.88 S1PR3 (0.37) PLA2G2ATLR7S1PR3
SCHEMBL6966257 0.86 TLR7 (0.35) PLA2G2ATLR7KDM4EALDH1A1PTGDR2
SCHEMBL6974738 0.86 TLR7 (0.36) TLR7ALDH1A1KMT2ABRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16

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