SCHEMBL15845387

SCHEMBL15845387

O=[N+]([O-])c1ccccc1-c1ccc2c(c1)c1cc3ccn(-c4ccccc4)c3cc1n2-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PLA2G4A P47712 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MPI P34949 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL15481499 0.85 ALDH1A1 (0.39) ALDH1A1TDP1PLA2G4AMEN1KMT2A
SCHEMBL15477945 0.85 ALDH1A1 (0.50) ALDH1A1TDP1PLA2G4AMEN1KMT2A
SCHEMBL15845380 0.85 ATM (0.38) ALDH1A1PLA2G4AMEN1KMT2AMPI
SCHEMBL15845391 0.85 ATM (0.38) ALDH1A1PLA2G4AMEN1KMT2AMPI
SCHEMBL15845379 0.83 ALDH1A1 (0.41) ALDH1A1TDP1MEN1KMT2AMPI
SCHEMBL15596380 0.83 ALDH1A1 (0.50) ALDH1A1TDP1PLA2G4AMEN1KMT2A
SCHEMBL14756544 0.83 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2AMPI
SCHEMBL16932050 0.82 ALDH1A1 (0.47) ALDH1A1TDP1MEN1KMT2AMPI
SCHEMBL15801770 0.81 ALDH1A1 (0.46) ALDH1A1TDP1PLA2G4AMEN1KMT2A
SCHEMBL15801580 0.81 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2AFGFR1

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-2014104663-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-07-03 — — WO disclosed
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