SCHEMBL6971946

SCHEMBL6971946

CCn1c(CCCO)nc(C(C)C)c1Sc1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.40
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GRM5 P41594 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NTRK1 P04629 1/20 0.32
NTRK2 Q16620 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
PDE4B Q07343 2/20 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
SCHEMBL6960470 0.94 TP53 (0.36) TLR8TP53RXFP1GRM5TDP1
SCHEMBL6961885 0.89 TP53 (0.37) TP53RXFP1GRM5TDP1MEN1
SCHEMBL6968701 0.89 TLR8 (0.36) TLR8ALDH1A1
SCHEMBL6961144 0.87 GCGR (0.39) TLR8KMT2ANPSR1ALDH1A1
SCHEMBL7083480 0.87 TLR8 (0.37) TLR8TDP1ALDH1A1KDM4ELMNA
SCHEMBL6960474 0.87 TLR8 (0.42) TLR8TP53RXFP1GRM5TDP1
SCHEMBL6968809 0.87 ALDH1A1 (0.38) TLR8TDP1MEN1KMT2AALDH1A1
SCHEMBL6973927 0.85 TP53 (0.39) TP53RXFP1TDP1MEN1KMT2A
SCHEMBL7087601 0.85 SLC6A9 (0.33) TLR8TP53RXFP1GRM5TDP1
SCHEMBL6974023 0.85 TLR8 (0.36) TLR8TP53RXFP1GRM5TDP1

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