SCHEMBL6976885

SCHEMBL6976885

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GCGR P47871 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
HSP90B1 P14625 1/20 0.30
DHFR P00374 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
SCHEMBL7079167 0.96 GCGR (0.34) GCGRMAPT
SCHEMBL7081111 0.94 MEN1 (0.32) MEN1KMT2AGCGRSMN1; SMN2ALDH1A1
SCHEMBL6966167 0.93 ALDH1A1 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL6973709 0.91 GCGR (0.34) MEN1KMT2AGCGRSMN1; SMN2ALDH1A1
SCHEMBL6962650 0.90 TLR7 (0.35) GCGRMAPT
SCHEMBL6972574 0.89 ALDH1A1 (0.35) MEN1KMT2AGCGRSMN1; SMN2ALDH1A1
SCHEMBL6960610 0.88
SCHEMBL6966194 0.88 GCGR (0.34) MEN1KMT2AGCGRALDH1A1LMNA
SCHEMBL6974129 0.88 HSP90B1 (0.41) MEN1KMT2AGCGRALDH1A1LMNA
SCHEMBL6966535 0.86 GCGR (0.35) GCGR

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