SCHEMBL6961640

SCHEMBL6961640

CC(=O)OCc1nc(Sc2cc(Cl)cc(Cl)c2)c(C(C)C)n1C

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
USP7 Q93009 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TLR8 Q9NR97 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7082337 0.90 LMNA (0.36) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL6964412 0.89 ALOX12 (0.41) MAPTUSP7MEN1KMT2ACYP1A2
SCHEMBL6961401 0.87 CYP1A2 (0.31) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6961659 0.86 MEN1 (0.32) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6967031 0.84 CYP1A2 (0.44) MAPTMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL6974005 0.83
SCHEMBL6974006 0.83
SCHEMBL6969885 0.82
SCHEMBL6973990 0.82 MEN1 (0.34) MAPTUSP7MEN1KMT2ASMN1; SMN2
SCHEMBL8109935 0.82 HSP90B1 (0.32)

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