SCHEMBL22755947

SCHEMBL22755947

CC(C)(C)c1cc(-c2cccc(-c3ccccc3)c2)ncc1[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ LDHA P00338 1/20 0.34
▸ HSD17B1 P14061 2/20 0.33
▸ HSD17B2 P37059 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ COMT P21964 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33

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
SCHEMBL17637118 0.80 LDHA (0.46) KMOMEN1KMT2ALOXL2IDO1
SCHEMBL21702881 0.74 LDHA (0.45) MEN1KMT2AALOX5APIDO1TDO2
SCHEMBL17637117 0.73 KMO (0.37) KMOLOXL2SYKIDO1TDO2
SCHEMBL2480559 0.72 KIF11 (0.45) KMOLOXL2SYKKIF11LDHA
SCHEMBL16405291 0.71 LDHA (0.42) MEN1KMT2AIDO1TDO2LDHA
SCHEMBL25884863 0.71 LDHA (0.50) MEN1KMT2AALOX5APIDO1TDO2
SCHEMBL11991176 0.71 HSD17B1 (0.59) KMOLOXL2IDO1TDO2HSD17B1
SCHEMBL17637120 0.71 LDHA (0.45) IDO1TDO2LDHANPC1RAB9A
SCHEMBL16405288 0.70 HSD17B1 (0.45) KMOLOXL2IDO1TDO2LDHA
SCHEMBL24533913 0.70 KMO (0.36) KMOLOXL2IDO1TDO2LDHA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3010068-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2020-12-09 — — EP disclosed
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