SCHEMBL7083670

SCHEMBL7083670

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

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.33
P2RX3 P56373 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
SCHEMBL6967842 0.92 ENPP2 (0.33) ENPP2P2RX3
SCHEMBL6961663 0.90 P2RX3 (0.31) P2RX3
SCHEMBL6974277 0.90 GRIN1 (0.34) ENPP2
SCHEMBL6961984 0.89 ENPP2 (0.39) ENPP2P2RX3
SCHEMBL6968937 0.88 MAPT (0.32) ENPP2P2RX3
SCHEMBL6957825 0.86 ENPP2 (0.35) ENPP2P2RX3
SCHEMBL6961267 0.86 ALDH1A1 (0.34) P2RX3
SCHEMBL7086131 0.86
SCHEMBL6974519 0.85 ENPP2 (0.35) ENPP2P2RX3
SCHEMBL7082232 0.85 S1PR3 (0.36) ENPP2P2RX3

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 3 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
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed