SCHEMBL19660362

SCHEMBL19660362

O=[N+]([O-])c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)ccc1-c1cc2sc3ccccc3c2c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ LMNA P02545 3/20 0.34
▸ PKM P14618 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ ALDH1A1 P00352 5/20 0.32
▸ MPI P34949 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ ERN1 O75460 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ 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
SCHEMBL19120045 0.92 ATM (0.35) ATMKDM4EL3MBTL1MEN1KMT2A
SCHEMBL18666050 0.82 KDM4E (0.33) ATMKDM4EL3MBTL1MEN1KMT2A
SCHEMBL16726785 0.82 ATM (0.45) ATMKDM4EL3MBTL1MEN1KMT2A
SCHEMBL17548811 0.80 ALDH1A1 (0.37) ATMKDM4EL3MBTL1MEN1KMT2A
SCHEMBL19428582 0.79 LMNA (0.37) ATMKDM4EL3MBTL1MEN1KMT2A
SCHEMBL15460322 0.77 L3MBTL1 (0.50) ATMKDM4EL3MBTL1MEN1KMT2A
SCHEMBL23788750 0.77 ATM (0.44) ATMKDM4EL3MBTL1MEN1KMT2A
SCHEMBL19642950 0.76 ATM (0.46) ATMKDM4EL3MBTL1MEN1KMT2A
SCHEMBL20321653 0.76 ATM (0.46) ATMKDM4EL3MBTL1MEN1KMT2A
SCHEMBL21085597 0.76 L3MBTL1 (0.41) ATMKDM4EL3MBTL1MEN1KMT2A

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-2017204556-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2017-11-30 — — WO disclosed
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