SCHEMBL7084536

SCHEMBL7084536

CCn1c(COCCOC(C)=O)nc(C(C)C)c1Sc1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A9 P48067 5/20 0.32
MAPT P10636 1/20 0.31
GCGR P47871 1/20 0.31
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAOB P27338 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
SCHEMBL7087212 0.92 EPHX1 (0.33) DHODHMEN1KMT2ASLC6A9MAPT
SCHEMBL6974529 0.92 DHODH (0.34) DHODHMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL6974491 0.92 MEN1 (0.37) DHODHMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL6966388 0.91
SCHEMBL7086454 0.89 ALOX12 (0.35) SLC6A9MAOB
SCHEMBL7082468 0.89 CYP1A2 (0.35) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7086333 0.89 CYP1A2 (0.39) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7086007 0.88 GRIN1 (0.33) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7081196 0.88 DHODH (0.35) DHODHSLC6A9GCGR
SCHEMBL6971930 0.87 CYP2C9 (0.36) MEN1CYP1A2CYP2C9CYP2C19KMT2A

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