SCHEMBL7081085

SCHEMBL7081085

CC(C)c1nc(C(O)Cc2cccnc2)[nH]c1Sc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
LMNA P02545 1/20 0.37
CHRM1 P11229 1/20 0.36
TBXAS1 P24557 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
FDPS P14324 1/20 0.35
NAMPT P43490 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHFR P00374 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6970549 0.88 IDO1 (0.35) TBXAS1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL6970038 0.88 ALDH1A1 (0.41) LMNACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL7083467 0.88 IDO1 (0.35) LMNACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL7078351 0.87 SLC6A4 (0.36) CHRM1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL6973659 0.87 MEN1 (0.34) LMNATBXAS1CYP3A4CYP2D6SLC6A2
SCHEMBL6969546 0.87 IDO1 (0.36) TBXAS1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL6969311 0.85 LMNA (0.37) RECQLLMNACHRM1TBXAS1CYP3A4
SCHEMBL7085468 0.84 CHRM1 (0.32) RECQLLMNACHRM1TBXAS1CYP3A4
SCHEMBL7081288 0.84 MAPT (0.38) LMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL6963979 0.81 PTPRA (0.39) CYP2D6SLC6A4FNTAFNTBFDPS

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