SCHEMBL19735992

SCHEMBL19735992

C[Si](C)(C)c1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc([Si](C)(C)C)cc4)cc3)c3ccc(/C=C/c4ccc(S(C)(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 3/20 0.36
CASP1 P29466 2/20 0.36
HBB P68871 2/20 0.36
NPC1 O15118 2/20 0.36
ALOX15 P16050 1/20 0.36
RELA Q04206 1/20 0.34
GAA P10253 1/20 0.34
BRCA1 P38398 1/20 0.34
CASP7 P55210 1/20 0.34
APP P05067 5/20 0.33
MAT2A P31153 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 4/20 0.31
LMNA P02545 3/20 0.31
HTT P42858 2/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL25537764 0.90 CYP1A1 (0.39) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL9604058 0.88 MAPT (0.44) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL19275118 0.88 RELA (0.42) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL12128520 0.82 MAPT (0.40) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL12128483 0.82 MAPT (0.40) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL14907330 0.80
SCHEMBL14461262 0.78 ALOX5 (0.44) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL15298706 0.78 MAPT (0.37) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL20910232 0.77 MAPT (0.36) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL30307012 0.77 CYP1A2 (0.51) MAPTSMN1; SMN2RAB9ANPC1RELA

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
US-20230151235-A1 FORMULATION OF AN ORGANIC FUNCTIONAL MATERIAL MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
EP-3189551-B1 FORMULATIONS AND METHOD OF PRODUCING AN ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2021-01-27 EP disclosed
WO-2017216129-A1 FORMULATION OF AN ORGANIC FUNCTIONAL MATERIAL MERCK PATENT GMBH (DE) 2017-12-21 WO disclosed