SCHEMBL16843014

SCHEMBL16843014

c1ccc(-c2cccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
APP P05067 1/20 0.36
ESR1 P03372 1/20 0.36
MGLL Q99685 1/20 0.36
MAOA P21397 1/20 0.35
KMO O15229 1/20 0.35
ESR2 Q92731 1/20 0.35
ACMSD Q8TDX5 1/20 0.35

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
SCHEMBL16843016 1.00 ALDH1A1 (0.39) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL17118558 0.98 NISCH (0.39) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL17118564 0.97 KDM4E (0.37) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL21365230 0.95 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL21365153 0.95 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL16843034 0.93 ACMSD (0.37) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL16843036 0.93 ACMSD (0.37) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL12259858 0.93 ALDH1A1 (0.45) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL16843017 0.93 ALDH1A1 (0.45) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL16843018 0.93 ALDH1A1 (0.45) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150179962-A1 SILANE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-25 US disclosed
US-20150179962-A1 SILANE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-25 US disclosed