SCHEMBL12280824

SCHEMBL12280824

C=C(/C=C(\N=C(/N)n1c2cc(N)ccc2c2ccc(N)cc21)c1ccccc1)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HBB P68871 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL12435375 0.72 ESR1 (0.34) MEN1MAPTKMT2AHSD17B10TDP1
SCHEMBL31823 0.72 HTR2B (0.31) —
SCHEMBL31898 0.70 ALOX5 (0.41) —
SCHEMBL15434187 0.66 MEN1 (0.35) MEN1MAPTHTTKMT2ALMNA
SCHEMBL12697741 0.65 KDM1A (0.31) MEN1KMT2A
SCHEMBL12655605 0.63 NPC1 (0.35) MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL19139313 0.63 MAPT (0.39) MEN1ALDH1A1MAPTHPGDHTT
SCHEMBL12580189 0.62 LMNA (0.36) MEN1ALDH1A1MAPTHPGDHTT
SCHEMBL19142011 0.61 MAPT (0.37) MEN1ALDH1A1MAPTHPGDHTT
SCHEMBL10039291 0.60 L3MBTL1 (0.40) MEN1ALDH1A1MAPTHTTKMT2A

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-2011126224-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-10-13 — — WO disclosed
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