SCHEMBL15084751

SCHEMBL15084751

CC1(C)c2ccccc2N(c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c2ccc(Br)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.38
▸ MAPT P10636 5/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 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
SCHEMBL15084753 0.89 NR1H2 (0.36) MAPTMAPK1L3MBTL1NPSR1ALDH1A1
SCHEMBL15084798 0.88 NPC1 (0.35) AGTR1MAPTKDM4ENPSR1ALDH1A1
SCHEMBL15084870 0.85 HPGD (0.37) AGTR1MAPTKDM4EMAPK1L3MBTL1
SCHEMBL15084747 0.84 MCL1 (0.39) AGTR1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL15084796 0.83 MCL1 (0.41) AGTR1MAPTKDM4ENPSR1ALDH1A1
SCHEMBL15084848 0.82 SMN1; SMN2 (0.39) MAPTKDM4EMAPK1L3MBTL1ALDH1A1
SCHEMBL15084856 0.82 HPGD (0.35) AGTR1MAPTKDM4EMAPK1L3MBTL1
SCHEMBL13231702 0.82 MAPT (0.37) MAPTKDM4EMAPK1L3MBTL1NPSR1
SCHEMBL16905340 0.81 AGTR1 (0.39) AGTR1MAPTKDM4EMAPK1L3MBTL1
SCHEMBL15046221 0.79 EGLN1 (0.42) MAPTKDM4EMAPK1NPSR1ALDH1A1

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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