SCHEMBL6975858

SCHEMBL6975858

CC(=O)OCc1nc(C(C)(C)C)n(CO[SiH](C)C)c1Sc1cccc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
USP7 Q93009 1/20 0.33
ALOX12 P18054 1/20 0.33
AKR1B1 P15121 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
ALOX5 P09917 1/20 0.31
TERT O14746 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
SCHEMBL6965870 0.87 ALDH1A1 (0.33) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL6972910 0.72 ALDH1A1 (0.35) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL6966584 0.72 MEN1 (0.37) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8345126 0.68 MEN1 (0.33) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7081639 0.67 ALOX12 (0.38) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7078163 0.66 MEN1 (0.38) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL6966591 0.66 USP7 (0.32) USP7ALOX5
SCHEMBL6975849 0.65 ALOX12 (0.34) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL6961234 0.64 TYMS (0.34) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8346906 0.64 MEN1 (0.38) MEN1KMT2A

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 3 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
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed