SCHEMBL16352544

SCHEMBL16352544

O=[N+]([O-])c1ccccc1-c1cccc2c1nc(-c1ccncc1)n2-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ HTT P42858 1/20 0.41
▸ PKN1 Q16512 1/20 0.41
▸ PKN2 Q16513 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ CDC7 O00311 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ MGAM O43451 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SI P14410 1/20 0.37
▸ MGAM2 Q2M2H8 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37

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
SCHEMBL16352513 0.93 ALDH1A1 (0.48) ALDH1A1HTTSIRT2TDP1ADORA3
SCHEMBL16352520 0.86 MEN1 (0.41) ALDH1A1HTTPKN1PKN2SIRT2
SCHEMBL16352570 0.79 DCTPP1 (0.44) ALDH1A1HTTSIRT2TDP1MEN1
SCHEMBL21155155 0.77 ALDH1A1 (0.43) ALDH1A1HTTSIRT2TDP1MGAM
SCHEMBL16352575 0.75 ALDH1A1 (0.40) ALDH1A1HTTSIRT2TDP1ADORA3
SCHEMBL18577689 0.74 ESR1 (0.49) ALDH1A1HTTGAAMEN1KMT2A
SCHEMBL15796919 0.74 ALDH1A1 (0.43) ALDH1A1HTTSIRT2TDP1ADORA3
SCHEMBL18347067 0.74 ALDH1A1 (0.54) ALDH1A1HTTTDP1POLBMEN1
SCHEMBL16352563 0.74 KDM4E (0.42) ALDH1A1HTTMEN1KMT2AHSP90AA1
SCHEMBL15430958 0.73 ALDH1A1 (0.50) ALDH1A1HTTSIRT2TDP1ADORA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9419229-B2 Compound, organic optoelectric device including the same and display device including the optoelectric device CHEIL INDUSTRIES, INC. (KR) 2016-08-16 — — US disclosed
US-9419229-B2 Compound, organic optoelectric device including the same and display device including the optoelectric device CHEIL INDUSTRIES, INC. (KR) 2016-08-16 — — US disclosed
US-20140374706-A1 COMPOUND, ORGANIC OPTOELECTRIC DEVICE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE OPTOELECTRIC DEVICE CHEIL INDUSTRIES, INC. (KR) 2014-12-25 — — US disclosed
US-20140374706-A1 COMPOUND, ORGANIC OPTOELECTRIC DEVICE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE OPTOELECTRIC DEVICE CHEIL INDUSTRIES, INC. (KR) 2014-12-25 — — US disclosed
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