SCHEMBL6965682

SCHEMBL6965682

COC(=O)NCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.31
HSP90B1 P14625 2/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
RECQL P46063 1/20 0.31
AGPAT2 O15120 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
TRAP1 Q12931 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
SCHEMBL6965470 0.89 SETDB1 (0.33) SMN1; SMN2RAB9AHSP90B1POLBHSP90AA1
SCHEMBL6973791 0.88 CYP2C9 (0.33) HSP90B1RECQLHSP90AA1HSP90AB1TRAP1
SCHEMBL8345413 0.85 ALDH1A1 (0.35) SMN1; SMN2HSP90B1MAPTRECQLHSP90AA1
SCHEMBL6969468 0.85 MAPT (0.34) HSP90B1MAPTMAPK1ATM
SCHEMBL6967933 0.83 HSP90B1 (0.33) HSP90B1HSP90AA1HSP90AB1TRAP1
SCHEMBL6970240 0.83 L3MBTL1 (0.36) HSP90B1MAPTRECQL
SCHEMBL6975015 0.83 KDM4E (0.33) SMN1; SMN2HSP90B1
SCHEMBL6969352 0.82 HSP90B1 (0.31) HSP90B1HSP90AA1HSP90AB1TRAP1
SCHEMBL6960253 0.81 PTGDR2 (0.32) HSP90B1HSP90AA1HSP90AB1TRAP1
SCHEMBL6973990 0.81 MEN1 (0.34) SMN1; SMN2MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP claimed
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