SCHEMBL6973034

SCHEMBL6973034

CCn1c(CCCOC(N)=O)nc(C(C)C)c1Sc1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
GCGR P47871 1/20 0.34
EPHX1 P07099 1/20 0.33
DHODH Q02127 1/20 0.33
LMNA P02545 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
SLC6A9 P48067 5/20 0.32
PPARG P37231 2/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DHFR P00374 1/20 0.31
MAPK1 P28482 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
SCHEMBL6973633 0.94 EPHX1 (0.34) MAPTMEN1RECQLKMT2AGCGR
SCHEMBL6969641 0.91 LMNA (0.30) LMNAPPARG
SCHEMBL7087212 0.90 EPHX1 (0.33) MAPTMEN1RECQLKMT2AGCGR
SCHEMBL6974700 0.89 ALOX12 (0.35) MAPTMEN1RECQLKMT2ALMNA
SCHEMBL7084556 0.89 EPHX1 (0.34) MAPTMEN1RECQLKMT2AGCGR
SCHEMBL6974432 0.89 EPHX1 (0.35) MAPTEPHX1DHODHLMNACA2
SCHEMBL6968991 0.89 LMNA (0.41) MEN1KMT2ALMNAPPARGALDH1A1
SCHEMBL6972238 0.88 PPARG (0.34) LMNAPPARG
SCHEMBL7087646 0.87 S1PR3 (0.37) EPHX1SLC6A9
SCHEMBL6964484 0.86 CACNA1F (0.36) MAPTMEN1RECQLKMT2ALMNA

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