SCHEMBL6973843

SCHEMBL6973843

CC(=O)OCCOCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1Cc1ccncc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.32
P2RX3 P56373 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GRM5 P41594 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
SCHEMBL6973001 0.92 P2RX3 (0.33) P2RX3KMT2A
SCHEMBL6961932 0.92 PIM1 (0.33) P2RX3MEN1KMT2A
SCHEMBL7082775 0.92 TLR8 (0.33) TLR8P2RX3MEN1KMT2A
SCHEMBL5852655 0.92 P2RX3 (0.33) P2RX3MEN1KMT2A
SCHEMBL6969211 0.91 KMT2A (0.34) MEN1KMT2AGRM5
SCHEMBL6973130 0.90 ENPP2 (0.32) MEN1KMT2AGRM5
SCHEMBL6975778 0.89 MEN1 (0.36) MEN1KMT2A
SCHEMBL6970649 0.88 KCNH2 (0.32) GRM5
SCHEMBL6957995 0.87 TLR8 (0.32) TLR8
SCHEMBL597334 0.87 P2RX3 (0.33) P2RX3MEN1KMT2AGRM5

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