SCHEMBL6960433

SCHEMBL6960433

CC(C)c1nc(COCc2ccccc2)n(Cc2ccccn2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
VCP P55072 1/20 0.33
SLC16A3 O15427 1/20 0.33
P2RX3 P56373 1/20 0.33
NOX4 Q9NPH5 2/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
AVPR1A P37288 1/20 0.32
ALOX5AP P20292 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPC5 Q9UL62 1/20 0.31
PTGER1 P34995 3/20 0.31
GCK P35557 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
TLR7 Q9NYK1 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
SCHEMBL8349607 0.92 TDP1 (0.32) TDP1SLC16A3P2RX3NOX4ALOX5AP
SCHEMBL14439828 0.91 TDP1 (0.40) TDP1VCPTP53MAPTALOX5AP
SCHEMBL6967249 0.90 HSP90B1 (0.33) TDP1VCPKMT2A
SCHEMBL7164319 0.88 GRM5 (0.32) SLC16A3P2RX3NOX4TP53TLR7
SCHEMBL5853114 0.88 TDP1 (0.37) TDP1VCPTP53MAPTAVPR1A
SCHEMBL6967282 0.87 TDP1 (0.32) TDP1VCPTP53MAPTKMT2A
SCHEMBL6972460 0.86 P2RX3 (0.36) TDP1VCPP2RX3TP53MAPT
SCHEMBL6966496 0.86 VCP (0.37) TDP1VCPTP53MAPT
SCHEMBL14439830 0.85 TP53 (0.39) TDP1VCPTP53MAPTKMT2A
SCHEMBL14439829 0.85 VCP (0.36) TDP1VCPTP53MAPT

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