SCHEMBL12435727

SCHEMBL12435727

CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)C(C)(C)c1ccccc1N3c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.34
▸ KMT2A Q03164 6/20 0.34
▸ MAPT P10636 5/20 0.34
▸ LMNA P02545 5/20 0.34
▸ MEN1 O00255 5/20 0.34
▸ MAPK1 P28482 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HTT P42858 3/20 0.34
▸ GAA P10253 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PGR P06401 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL15084759 0.91 MEN1 (0.36) L3MBTL1ADAMTS5KMT2AMAPTLMNA
SCHEMBL15490803 0.88 L3MBTL1 (0.44) L3MBTL1KMT2AMAPTLMNAMEN1
SCHEMBL12436486 0.88 L3MBTL1 (0.33) L3MBTL1ADAMTS5KMT2AMAPTLMNA
SCHEMBL12436276 0.87 MEN1 (0.37) L3MBTL1ADAMTS5KMT2AMAPTLMNA
SCHEMBL18526016 0.86 L3MBTL1 (0.34) L3MBTL1KMT2AMAPTLMNAMEN1
SCHEMBL17278581 0.86 MEN1 (0.38) L3MBTL1ADAMTS5KMT2AMAPTLMNA
SCHEMBL13833109 0.86 MEN1 (0.38) L3MBTL1ADAMTS5KMT2AMAPTLMNA
SCHEMBL20230674 0.86 MEN1 (0.38) L3MBTL1ADAMTS5KMT2AMAPTLMNA
SCHEMBL12435064 0.85 HDAC6 (0.33) ADAMTS5
SCHEMBL2603581 0.85 L3MBTL1 (0.33) L3MBTL1KMT2AMAPTLMNAMEN1

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
WO-2011093609-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-08-04 — — WO disclosed
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