SCHEMBL6973709

SCHEMBL6973709

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 10/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSP90B1 P14625 1/20 0.31
DHFR P00374 1/20 0.31
RAB9A P51151 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
SCHEMBL6966535 0.95 GCGR (0.35) GCGR
SCHEMBL6961746 0.93 ALDH1A1 (0.37) GCGRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6976885 0.91 MEN1 (0.33) GCGRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7081111 0.90 MEN1 (0.32) GCGRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6976916 0.88 DHODH (0.35)
SCHEMBL6966836 0.87 HSP90B1 (0.43) GCGRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6970796 0.87 GCGR (0.35) GCGRMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL7079167 0.86 GCGR (0.34) GCGRMAPT
SCHEMBL6962650 0.85 TLR7 (0.35) GCGRMAPTTSHR
SCHEMBL6970602 0.84 DHODH (0.31)

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