SCHEMBL15084852

SCHEMBL15084852

CC1(C)c2ccccc2N(c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.39
▸ MEN1 O00255 7/20 0.39
▸ ADORA1 P30542 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ MCL1 Q07820 2/20 0.34
▸ ESR1 P03372 3/20 0.33
▸ ESR2 Q92731 3/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ MAPT P10636 4/20 0.33
▸ HPGD P15428 3/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TSHR P16473 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ NTSR1 P30989 1/20 0.31
▸ NPC1 O15118 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
SCHEMBL15084777 0.95 MEN1 (0.36) KMT2AMEN1ADORA1ADORA3ADORA2B
SCHEMBL15067344 0.95 KMT2A (0.39) KMT2AMEN1ADORA1ADORA3ADORA2B
SCHEMBL17206564 0.94 CYP1A1 (0.39) KMT2AMEN1ADORA1ADORA3ADORA2B
SCHEMBL15084747 0.90 MCL1 (0.39) KMT2AMEN1ADORA1ADORA3ADORA2B
SCHEMBL15084754 0.90 CYP1A1 (0.34) KMT2AMEN1MCL1ESR1ESR2
SCHEMBL15084746 0.88 MEN1 (0.32) KMT2AMEN1ESR1ESR2
SCHEMBL15084800 0.86 KMT2A (0.38) KMT2AMEN1ADORA1ADORA3ADORA2B
SCHEMBL13833117 0.84 MEN1 (0.35) KMT2AMEN1ADORA1ADORA3ADORA2B
SCHEMBL18383121 0.83 KMT2A (0.41) KMT2AMEN1ADORA1ADORA3ADORA2B
SCHEMBL17830132 0.83 KMT2A (0.41) KMT2AMEN1ADORA1ADORA3ADORA2B

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-2013100603-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME 주식회사 두산 (KR) 2013-07-04 — — WO disclosed
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