SCHEMBL19120045

SCHEMBL19120045

O=[N+]([O-])c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1-c1cc2sc3ccccc3c2c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 3/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ ALDH1A1 P00352 6/20 0.32
▸ MPI P34949 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CRHBP P24387 1/20 0.30
▸ CRHR2 Q13324 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL19660362 0.92 ATM (0.35) ATMKDM4EL3MBTL1LMNAPKM
SCHEMBL18666050 0.88 KDM4E (0.33) ATMKDM4EL3MBTL1LMNAPKM
SCHEMBL19660663 0.84 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TDP1CRHBP
SCHEMBL19544392 0.83 HPRT1 (0.34) ATMKDM4EL3MBTL1LMNAPKM
SCHEMBL19119992 0.81 — —
SCHEMBL17548811 0.80 ALDH1A1 (0.37) ATMKDM4EL3MBTL1LMNAPKM
SCHEMBL23788750 0.79 ATM (0.44) ATMKDM4EL3MBTL1MAPTMEN1
SCHEMBL14756544 0.77 ALDH1A1 (0.50) ATMKDM4EL3MBTL1LMNAPKM
SCHEMBL15460322 0.77 L3MBTL1 (0.50) ATMKDM4EL3MBTL1MAPTMEN1
SCHEMBL19428582 0.77 LMNA (0.37) ATMKDM4EL3MBTL1LMNAPKM

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-2017119654-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC APPARATUS THEREFOR 덕산네오룩스 주식회사 2017-07-13 — — WO disclosed
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