SCHEMBL7081083

SCHEMBL7081083

CC(C)c1nc(CO)n(Cc2cccnc2)c1Sc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.37
SRC P12931 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRA5 P31644 2/20 0.36
TLR7 Q9NYK1 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
BLM P54132 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL7081149 0.92 TLR7 (0.39) ALOX5APSRCKDM4ETLR7ALDH1A1
SCHEMBL7080963 0.90 TLR7 (0.41) ALOX5APSRCKDM4ETLR7ALDH1A1
SCHEMBL6972848 0.89 TLR7 (0.38) ALOX5APSRCKDM4EGABRA1GABRA5
SCHEMBL6970546 0.89 SRC (0.37) ALOX5APSRCKDM4EGABRA1GABRA5
SCHEMBL7083464 0.88 GRIN1 (0.39) SRCKDM4EALDH1A1LMNA
SCHEMBL6970034 0.88 ALDH1A1 (0.40) SRCKDM4EGABRA1GABRA5ALDH1A1
SCHEMBL7078348 0.88 SMN1; SMN2 (0.36) ALOX5APKDM4ETLR7ALDH1A1POLB
SCHEMBL6973652 0.88 SRC (0.37) ALOX5APSRCKDM4EGABRA1GABRA5
SCHEMBL6969539 0.88 GRIN1 (0.39) ALOX5APSRCTLR7
SCHEMBL6969489 0.88 ALDH1A1 (0.37) ALOX5APSRCKDM4ETLR7ALDH1A1

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