SCHEMBL6961014

SCHEMBL6961014

CC(C)c1nc(CO)n(CC2CC2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.31
MERTK Q12866 1/20 0.31
CNR2 P34972 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
SCHEMBL6962811 0.91 CNR2 (0.31) AXLMERTKCNR2
SCHEMBL7086082 0.89 TLR8 (0.34) CNR2
SCHEMBL6973723 0.87 DHODH (0.32) AXLMERTKCNR2
SCHEMBL6967222 0.86 DHODH (0.33) AXLMERTKCNR2
SCHEMBL6160601 0.84 HSP90B1 (0.33)
SCHEMBL7080018 0.84 P2RX3 (0.30)
SCHEMBL6961950 0.83 HSP90B1 (0.30)
SCHEMBL6962277 0.83 KMT2A (0.33)
SCHEMBL6968487 0.82 HSP90AA1 (0.30)
SCHEMBL6973041 0.82 HSP90B1 (0.35)

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