SCHEMBL7082232

SCHEMBL7082232

CNC(=S)OCc1nc(C(C)C)c(Sc2cc(F)cc(F)c2)n1Cc1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 18/20 0.36
ENPP2 Q13822 1/20 0.31
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
SCHEMBL6974025 0.93 S1PR3 (0.36) S1PR3ENPP2
SCHEMBL7182670 0.90 TLR7 (0.31)
SCHEMBL7077736 0.90 ALDH1A1 (0.33) P2RX3
SCHEMBL7084180 0.90 S1PR3 (0.39) S1PR3ENPP2
SCHEMBL6973461 0.87 S1PR3 (0.39) S1PR3ENPP2
SCHEMBL6973525 0.87 RAB9A (0.35) P2RX3
SCHEMBL7084640 0.86 S1PR3 (0.39) S1PR3ENPP2
SCHEMBL7083670 0.85 ENPP2 (0.33) ENPP2P2RX3
SCHEMBL6974277 0.84 GRIN1 (0.34) S1PR3ENPP2
SCHEMBL7087594 0.84 CFTR (0.39) S1PR3

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