SCHEMBL6974433

SCHEMBL6974433

CCCCCCn1c(CO)nc(C(C)C)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCGR P47871 17/20 0.37
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
TSSK1B Q9BXA7 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
SCHEMBL6970796 0.95 GCGR (0.35) GCGRMEN1HPGDKMT2A
SCHEMBL6965442 0.91 GCGR (0.36) GCGRMEN1HPGDKMT2A
SCHEMBL6972764 0.91 MEN1 (0.38) GCGRMEN1HPGDKMT2A
SCHEMBL6973789 0.90 GCGR (0.35) GCGR
SCHEMBL6966535 0.88 GCGR (0.35) GCGRTSSK1B
SCHEMBL7081625 0.87 HSP90B1 (0.39) GCGR
SCHEMBL6966194 0.87 GCGR (0.34) GCGRMEN1HPGDKMT2A
SCHEMBL6965783 0.87 HSP90B1 (0.39) GCGR
SCHEMBL6961567 0.86 DHODH (0.35) GCGR
SCHEMBL7082887 0.86 GCGR (0.33) GCGRMEN1HPGDKMT2A

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