SCHEMBL6973122

SCHEMBL6973122

CC(=O)OCc1nc(Sc2cccc(F)c2)c(C(C)C)n1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A9 P48067 5/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
PPARG P37231 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX1 P07099 1/20 0.33
HAO1 Q9UJM8 1/20 0.32
MAPT P10636 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL7084947 0.91 EPHX1 (0.37) MAOAMAOBSLC6A9CA2CA4
SCHEMBL6961659 0.89 MEN1 (0.32) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7086265 0.88 CA2 (0.36) MIFMAOAMAOBMEN1CYP1A2
SCHEMBL6964412 0.88 ALOX12 (0.41) MAOAMAOBMEN1CYP1A2CYP2C9
SCHEMBL6967031 0.87 CYP1A2 (0.44) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7084665 0.84 KMT2A (0.40) MAOAMAOBMEN1CYP2C9CYP2C19
SCHEMBL6961911 0.83 MAOA (0.38) MAOAMAOBMEN1KMT2ASLC6A9
SCHEMBL6971298 0.83 MAOA (0.34) MAOAMAOBSLC6A9CA2CA4
SCHEMBL6962728 0.83 CYP1A2 (0.40) MIFMAOAMAOBMEN1CYP1A2
SCHEMBL7078281 0.83 ENPP2 (0.36) MIFMAOBCYP1A2CYP2C9CYP2C19

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