SCHEMBL16218717

SCHEMBL16218717

O=[N+]([O-])c1ccc2ccccc2c1-c1cccc2sc3ccccc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ HPRT1 P00492 1/20 0.41
▸ S100A4 P26447 2/20 0.39
▸ PTPRC P08575 1/20 0.39
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ CSNK2A3 Q8NEV1 1/20 0.37
▸ POLB P06746 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CASP6 P55212 2/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ TSHR P16473 2/20 0.36
▸ RECQL P46063 1/20 0.35
▸ MCL1 Q07820 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
SCHEMBL16919393 0.88 KMT2A (0.43) ALDH1A1S100A4PTPRCKMT2AMEN1
SCHEMBL15126830 0.86 HPRT1 (0.43) ALDH1A1HPRT1KMT2AMEN1POLB
SCHEMBL16218716 0.84 ALDH1A1 (0.46) ALDH1A1HPRT1S100A4PTPRCKMT2A
SCHEMBL31219526 0.81 ALDH1A1 (0.59) ALDH1A1HPRT1S100A4PTPRCKMT2A
SCHEMBL17998719 0.81 ALDH1A1 (0.59) ALDH1A1HPRT1S100A4PTPRCKMT2A
SCHEMBL16218714 0.81 HPRT1 (0.42) ALDH1A1HPRT1MAPTCASP6TDP1
SCHEMBL16218715 0.81 HPRT1 (0.42) ALDH1A1HPRT1KMT2AMEN1CSNK2A2
SCHEMBL16218709 0.80 TDP1 (0.47) ALDH1A1S100A4PTPRCKMT2AMEN1
SCHEMBL20029707 0.78 ALDH1A1 (0.51) ALDH1A1HPRT1S100A4PTPRCKMT2A
SCHEMBL23030553 0.77 ALDH1A1 (0.47) ALDH1A1HPRT1S100A4PTPRCKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021045470-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-03-11 — — WO disclosed
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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