SCHEMBL7082887

SCHEMBL7082887

CCCCn1c(CCCO)nc(C(C)C)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TLR7 Q9NYK1 1/20 0.32
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL6973789 0.96 GCGR (0.35) GCGRTLR7HDAC1HDAC8
SCHEMBL6966194 0.94 GCGR (0.34) GCGRMEN1KMT2AHPGDALDH1A1
SCHEMBL6974517 0.94 MEN1 (0.36) GCGRMEN1KMT2AHPGDALDH1A1
SCHEMBL6965442 0.90 GCGR (0.36) GCGRMEN1KMT2ATLR7HPGD
SCHEMBL6970796 0.90 GCGR (0.35) GCGRMEN1KMT2AHPGD
SCHEMBL6974422 0.90 GCGR (0.31) GCGRALDH1A1
SCHEMBL6975444 0.89
SCHEMBL7081111 0.88 MEN1 (0.32) GCGRMEN1KMT2ATLR7HPGD
SCHEMBL6963837 0.88 MEN1 (0.37) GCGRMEN1KMT2AHPGDALDH1A1
SCHEMBL7079137 0.87 HSP90B1 (0.41) GCGRMEN1KMT2ATLR7ALDH1A1

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