SCHEMBL15084753

SCHEMBL15084753

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.36
▸ NR1H3 Q13133 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ABCG2 Q9UNQ0 2/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ ABCC1 P33527 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GABRA1 P14867 3/20 0.33
▸ GABRB2 P47870 3/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA2 P47869 2/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA3 P34903 1/20 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
SCHEMBL15084751 0.89 AGTR1 (0.38) L3MBTL1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL15490803 0.88 L3MBTL1 (0.44) NR1H2NR1H3L3MBTL1LMNAMAPT
SCHEMBL17739621 0.85 L3MBTL1 (0.40) NR1H2NR1H3L3MBTL1LMNAMAPT
SCHEMBL15084759 0.84 MEN1 (0.36) L3MBTL1LMNAMAPTMAPK1HTT
SCHEMBL15084848 0.84 SMN1; SMN2 (0.39) L3MBTL1LMNAMAPTMAPK1HTT
SCHEMBL20230735 0.84 PGR (0.38) NR1H2NR1H3L3MBTL1MAPTABCG2
SCHEMBL29185412 0.83 ABCG2 (0.33) NR1H2NR1H3L3MBTL1ABCG2ABCB1
SCHEMBL12435727 0.82 L3MBTL1 (0.35) L3MBTL1LMNAMAPTMAPK1HTT
SCHEMBL17206566 0.81 L3MBTL1 (0.33) L3MBTL1MAPTCYP1A2CYP3A4MEN1
SCHEMBL15084798 0.81 NPC1 (0.35) MAPTSMN1; SMN2GABRA1GABRB2GABRA5

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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