SCHEMBL6974023

SCHEMBL6974023

CC(C)c1nc(CCCO)n(Cc2ccccn2)c1Sc1cccc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.36
GRM5 P41594 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 1/20 0.34
PPP1CA P62136 1/20 0.34
TP53 P04637 2/20 0.33
AGTR1 P30556 1/20 0.32
MEN1 O00255 2/20 0.32
HPGD P15428 1/20 0.32
HRH1 P35367 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7082472 0.94 ALDH1A1 (0.37) GRM5TLR7GRIN1GRIN2BALDH1A1
SCHEMBL6970195 0.93 TLR7 (0.35) TLR8TLR7ALDH1A1KMT2AKDM4E
SCHEMBL7079929 0.91 GRM5 (0.38) GRM5GRIN1GRIN2BALDH1A1KMT2A
SCHEMBL7084830 0.90 TLR7 (0.40) TLR7ALDH1A1KMT2APKMTP53
SCHEMBL6974995 0.89 GRIN1 (0.36) TLR7GRIN1GRIN2BALDH1A1KMT2A
SCHEMBL6967528 0.89 GRM5 (0.36) GRM5TLR7GRIN1GRIN2BALDH1A1
SCHEMBL8507295 0.87 HRH3 (0.39) GRM5GRIN1GRIN2BALDH1A1KMT2A
SCHEMBL6962202 0.87 GRM5 (0.38) GRM5GRIN1GRIN2BALDH1A1KMT2A
SCHEMBL7082531 0.87 HRH1 (0.34) TLR7GRIN1GRIN2BALDH1A1KMT2A
SCHEMBL6960270 0.87 ALDH1A1 (0.36) GRM5GRIN1GRIN2BALDH1A1KMT2A

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