SCHEMBL6974517

SCHEMBL6974517

CCCn1c(CCCO)nc(C(C)C)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
GCGR P47871 11/20 0.33
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7082887 0.94 GCGR (0.33) MEN1HPGDKMT2AGCGRALDH1A1
SCHEMBL6963837 0.93 MEN1 (0.37) MEN1HPGDKMT2AGCGRALDH1A1
SCHEMBL6973789 0.93 GCGR (0.35) GCGR
SCHEMBL6974422 0.91 GCGR (0.31) GCGRALDH1A1MAPT
SCHEMBL6975444 0.90
SCHEMBL6966194 0.89 GCGR (0.34) MEN1HPGDKMT2AGCGRALDH1A1
SCHEMBL6972764 0.89 MEN1 (0.38) MEN1HPGDKMT2AGCGRALDH1A1
SCHEMBL6972574 0.88 ALDH1A1 (0.35) MEN1HPGDKMT2AGCGRALDH1A1
SCHEMBL6965442 0.87 GCGR (0.36) MEN1HPGDKMT2AGCGR
SCHEMBL7084131 0.87 TLR8 (0.35) GCGRALDH1A1MAPTHTTSMN1; 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