SCHEMBL6961663

SCHEMBL6961663

CNC(=S)OCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1Cc1ccncc1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.31
KCNH2 Q12809 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
SCHEMBL6961267 0.92 ALDH1A1 (0.34) P2RX3
SCHEMBL7080182 0.91 MAPT (0.35) P2RX3
SCHEMBL7083670 0.90 ENPP2 (0.33) P2RX3
SCHEMBL6961504 0.89 ENPP2 (0.35) P2RX3
SCHEMBL6968937 0.89 MAPT (0.32) P2RX3
SCHEMBL597334 0.87 P2RX3 (0.33) P2RX3KCNH2
SCHEMBL6974836 0.87
SCHEMBL6161001 0.86 ENPP2 (0.35) P2RX3KCNH2
SCHEMBL6967842 0.86 ENPP2 (0.33) P2RX3
SCHEMBL7077736 0.86 ALDH1A1 (0.33) P2RX3

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