SCHEMBL6972573

SCHEMBL6972573

CC(C)c1nc(CO)n(CCCCCCc2ccccc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
OXER1 Q8TDS5 7/20 0.33
GCGR P47871 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSP90B1 P14625 2/20 0.33
TRAP1 Q12931 2/20 0.33
TSSK1B Q9BXA7 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 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
SCHEMBL6968283 1.00 POLB (0.37) POLBTDP1OXER1GCGRMEN1
SCHEMBL6973152 0.99 POLB (0.37) POLBTDP1OXER1GCGRMEN1
SCHEMBL6972502 0.96 POLB (0.38) POLBTDP1GCGRMEN1KMT2A
SCHEMBL6965480 0.92 POLB (0.44) POLBTDP1MEN1KMT2A
SCHEMBL6970813 0.89 KMT2A (0.35) TDP1MEN1KMT2AHSP90B1TRAP1
SCHEMBL6972978 0.88 MEN1 (0.35) TDP1MEN1KMT2AHSP90B1TRAP1
SCHEMBL6966848 0.87 TDP1 (0.42) POLBTDP1GCGRMEN1KMT2A
SCHEMBL7081625 0.86 HSP90B1 (0.39) GCGRHSP90B1TRAP1HSP90AA1HSP90AB1
SCHEMBL6965783 0.86 HSP90B1 (0.39) GCGRHSP90B1TRAP1HSP90AA1HSP90AB1
SCHEMBL6964845 0.85 MEN1 (0.35) POLBTDP1MEN1KMT2ASMN1; 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