SCHEMBL7087601

SCHEMBL7087601

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.33
TP53 P04637 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALOX12 P18054 1/20 0.32
GRM5 P41594 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DHFR P00374 2/20 0.32
PTPN11 Q06124 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PPP1CA P62136 1/20 0.31
TLR8 Q9NR97 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
SCHEMBL6967962 0.90
SCHEMBL7081196 0.88 DHODH (0.35) SLC6A9DHFR
SCHEMBL7078933 0.88 MAOB (0.35) SLC6A9TP53RXFP1ALOX12GRM5
SCHEMBL7084596 0.88 IDO1 (0.33) SLC6A9GRM5KMT2ATDP1ALDH1A1
SCHEMBL7086454 0.88 ALOX12 (0.35) SLC6A9TP53RXFP1ALOX12TLR8
SCHEMBL7086624 0.87 ACSS2 (0.34)
SCHEMBL7081807 0.87 ALOX12 (0.35) SLC6A9TP53RXFP1ALOX12DHFR
SCHEMBL6960470 0.86 TP53 (0.36) TP53RXFP1ALOX12GRM5KMT2A
SCHEMBL6961885 0.86 TP53 (0.37) SLC6A9TP53RXFP1ALOX12GRM5
SCHEMBL6960598 0.86 TDP1 (0.36) SLC6A9TP53RXFP1KMT2AMEN1

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