SCHEMBL16218713

SCHEMBL16218713

O=[N+]([O-])c1c(-c2cccc3c2sc2ccccc23)c2ccccc2c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP14 Q460N5 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ S100A4 P26447 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PRKDC P78527 6/20 0.36
▸ GPR3 P46089 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PIK3CD O00329 2/20 0.35
▸ PIK3CB P42338 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35

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
SCHEMBL15126735 0.87 S100A4 (0.41) PARP14ALOX5S100A4LMNAPOLB
SCHEMBL14951426 0.83 S100A4 (0.41) S100A4LMNAPOLBHPGDMEN1
SCHEMBL16919494 0.80 PARP14 (0.43) PARP14ALOX5S100A4POLBMEN1
SCHEMBL9890847 0.79 ALOX5 (0.56) PARP14ALOX5HPGDMEN1MAPT
SCHEMBL25873178 0.79 ALDH1A1 (0.39) PARP14ALOX5LMNAPOLBHPGD
SCHEMBL21450764 0.78 ALOX5 (0.54) PARP14ALOX5HPGDMEN1MAPT
SCHEMBL4554345 0.78 PARP14 (0.49) PARP14ALOX5S100A4LMNAMEN1
SCHEMBL16218719 0.78 CYP3A4 (0.44) S100A4LMNAPOLBHPGDMEN1
SCHEMBL16218710 0.78 CYP3A4 (0.44) S100A4LMNAPOLBHPGDMEN1
SCHEMBL16218716 0.77 ALDH1A1 (0.46) PARP14ALOX5S100A4POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9905773-B2 Compound for organic electronic element, organic electronic element using the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-02-27 — — US disclosed
US-20140326987-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2014-11-06 — — US disclosed
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