SCHEMBL6973990

SCHEMBL6973990

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
USP7 Q93009 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.31
TLR8 Q9NR97 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
SCHEMBL6967482 0.91 TLR8 (0.33) USP7TLR8
SCHEMBL6961025 0.90 LMNA (0.36) MEN1KMT2AUSP7SMN1; SMN2L3MBTL1
SCHEMBL7078163 0.89 MEN1 (0.38) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6975015 0.88 KDM4E (0.33) SMN1; SMN2
SCHEMBL6974554 0.87 MEN1 (0.31) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6973457 0.86 CYP1A2 (0.36) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6966247 0.84 CYP1A2 (0.49) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6962712 0.84
SCHEMBL6972382 0.84 HSP90B1 (0.30)
SCHEMBL6165076 0.83 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