SCHEMBL21699296

SCHEMBL21699296

O=[N+]([O-])c1ccccc1-c1cccc2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ MAPT P10636 2/20 0.39
▸ GUSB P08236 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ C1R P00736 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ EIF4E P06730 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37

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
SCHEMBL17861293 0.92 KDM4E (0.46) ALDH1A1TDP1MAPTGUSBMEN1
SCHEMBL21578513 0.85 L3MBTL1 (0.52) ALDH1A1MAPTMEN1KMT2ADUSP3
SCHEMBL25557866 0.85 TDP1 (0.48) ALDH1A1TDP1MAPTGUSBMEN1
SCHEMBL16862708 0.85 MEN1 (0.43) ALDH1A1TDP1MAPTGUSBMEN1
SCHEMBL20706851 0.84 L3MBTL1 (0.55) ALDH1A1MAPTMEN1KMT2ADUSP3
SCHEMBL21699466 0.83 ALDH1A1 (0.42) ALDH1A1TDP1MAPTGUSBMEN1
SCHEMBL22173008 0.83 ALDH1A1 (0.57) ALDH1A1TDP1MAPTGUSBMEN1
SCHEMBL21578557 0.82 ALDH1A1 (0.51) ALDH1A1TDP1MAPTGUSBMEN1
SCHEMBL17022454 0.82 KDM4E (0.44) ALDH1A1TDP1MAPTGUSBMEN1
SCHEMBL15892940 0.81 KDM4E (0.52) ALDH1A1TDP1MEN1KMT2AKDM4E

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
EP-3608319-A1 CONDENSED AZA CYCLES AS ORGANIC LIGHT EMITTING DEVICE AND MATERIALS FOR USE IN SAME Idemitsu Kosan Co., Ltd. (JP) 2020-02-12 — — EP disclosed
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