SCHEMBL6970796

SCHEMBL6970796

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.35
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
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
SCHEMBL6974433 0.95 GCGR (0.37) GCGRMEN1HPGDKMT2A
SCHEMBL6972764 0.93 MEN1 (0.38) GCGRMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL6966194 0.91 GCGR (0.34) GCGRMEN1HPGDKMT2A
SCHEMBL7082887 0.90 GCGR (0.33) GCGRMEN1HPGDKMT2A
SCHEMBL6961567 0.88 DHODH (0.35) GCGR
SCHEMBL6973709 0.87 GCGR (0.34) GCGRMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL6965442 0.87 GCGR (0.36) GCGRMEN1HPGDKMT2A
SCHEMBL6966836 0.86 HSP90B1 (0.43) GCGRMEN1KMT2ASMN1; SMN2
SCHEMBL6973789 0.86 GCGR (0.35) GCGR
SCHEMBL6973126 0.85 GCGR (0.30) GCGR

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