SCHEMBL7086458

SCHEMBL7086458

CCC(OCCOC(C)=O)c1nc(C(C)C)c(Sc2cccc(Cl)c2)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALOX12 P18054 1/20 0.35
SLC6A9 P48067 4/20 0.35
TYMS P04818 3/20 0.33
DHFR P00374 1/20 0.32
ALOX5 P09917 1/20 0.30
HPGD P15428 1/20 0.30
LMNA P02545 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
SCHEMBL6966214 0.91
SCHEMBL6968877 0.90 SLC6A9 (0.36) TP53RXFP1ALOX12SLC6A9TYMS
SCHEMBL7084539 0.89 SLC6A9 (0.33) SLC6A9TYMSLMNA
SCHEMBL7086334 0.89 DHFR (0.32) DHFR
SCHEMBL6973004 0.88 SLC6A9 (0.32) TP53RXFP1ALOX12SLC6A9
SCHEMBL7081642 0.88 TP53 (0.39) TP53RXFP1ALOX12SLC6A9TYMS
SCHEMBL7087608 0.88 TP53 (0.35) TP53RXFP1ALOX12SLC6A9TYMS
SCHEMBL6973420 0.87 SMN1; SMN2 (0.35) TP53RXFP1SLC6A9
SCHEMBL6971934 0.86 CACNA1C (0.35) LMNA
SCHEMBL7084647 0.86 ALDH1A1 (0.38) SLC6A9LMNA

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