SCHEMBL7086624

SCHEMBL7086624

CCn1c(COCCO)nc(C(C)C)c1Sc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 6/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GCGR P47871 1/20 0.31
TSHR P16473 1/20 0.30
ATM Q13315 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
SCHEMBL7087601 0.87 SLC6A9 (0.33)
SCHEMBL7081196 0.87 DHODH (0.35) GCGR
SCHEMBL7086333 0.86 CYP1A2 (0.39) ACSS2TSHRATM
SCHEMBL7080477 0.86 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL6967059 0.85 MAPT (0.33)
SCHEMBL6965501 0.85 LMNA (0.33) SMN1; SMN2TSHRATM
SCHEMBL6975218 0.84 SMN1; SMN2 (0.36) ACSS2SMN1; SMN2GCGRTSHRATM
SCHEMBL7086402 0.84
SCHEMBL6967962 0.84
SCHEMBL6974553 0.84 HRH1 (0.34)

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