SCHEMBL6976668

SCHEMBL6976668

COC(=O)C(C)c1nc(C)n(C)c1Sc1cc(C)cc(C)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
MT-CO2 P00403 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALOX5 P09917 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6165204 0.81 NOTUM (0.31)
SCHEMBL6974729 0.75 MAPT (0.32) MAPT
SCHEMBL6971767 0.71 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL6973251 0.70 LMNA (0.36) SMN1; SMN2ALOX5ALDH1A1MAPK1
SCHEMBL6968839 0.69
SCHEMBL7085901 0.67 LMNA (0.32)
SCHEMBL6966628 0.67 DRD2 (0.34)
SCHEMBL8800217 0.67 TYMS (0.31)
SCHEMBL6974766 0.67 MAPT (0.34) SMN1; SMN2MAPTHTT
SCHEMBL6965342 0.67 NOTUM (0.31) SMN1; SMN2

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