SCHEMBL9525207

SCHEMBL9525207

CSc1nc(-c2ccccc2)c(-c2ccccc2)n1COCC[Si](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.43
MAPK13 O15264 4/20 0.43
MAPK12 P53778 4/20 0.43
MAPK11 Q15759 4/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
F11 P03951 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
MAPK10 P53779 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL4069849 0.79 F11 (0.39) ALDH1A1KDM4EF11LMNANPC1
SCHEMBL9526288 0.78 F11 (0.36) ALDH1A1KDM4EF11L3MBTL1LMNA
SCHEMBL9525213 0.78 ALDH1A1 (0.44) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL22478641 0.77 DGAT1 (0.37) MAPK14MAPK13MAPK12MAPK11F11
SCHEMBL26965221 0.76 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL29429962 0.76 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL22470948 0.76 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL9737058 0.75 F11 (0.37) ALDH1A1KDM4EF11NPC1
SCHEMBL9737053 0.75 F11 (0.37) ALDH1A1KDM4EF11NPC1
SCHEMBL2846531 0.75 FAAH (0.43) KDM4EF11PTGS1PTGS2LMNA

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
WO-1993001183-A1 IMIDAZOLE DERIVATIVE AS ACAT INHIBITOR RHONE-POULENC RORER LIMITED (GB) 1993-01-21 WO disclosed
WO-1993001184-A1 IMIDAZOLES INHIBITORS AS ACAT AND THROMBOXANE TXA2 RHONE-POULENC RORER LIMITED (GB) 1993-01-21 WO disclosed
EP-0523941-A1 Imidazoles as ACAT inhibitor RHONE-POULENC RORER LIMITED (GB) 1993-01-20 EP disclosed
EP-0522887-A1 Imidazoles as ACAT- and thromboxane TxA2 inhibitors RHONE-POULENC RORER LIMITED (GB) 1993-01-13 EP disclosed