SCHEMBL21699466

SCHEMBL21699466

O=[N+]([O-])c1ccccc1-c1cccc2c3ccccc3n(-c3ccc4ccccc4c3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ HPRT1 P00492 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GUSB P08236 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ C1R P00736 1/20 0.38
▸ DUSP3 P51452 1/20 0.37
▸ TDP1 Q9NUW8 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 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
SCHEMBL20149456 0.86 DUSP3 (0.43) ALDH1A1DUSP3NPC1L3MBTL1
SCHEMBL17861293 0.85 KDM4E (0.46) ALDH1A1MEN1KMT2AMAPTGUSB
SCHEMBL21699296 0.83 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTGUSB
SCHEMBL20149445 0.82 KDM4E (0.49) ALDH1A1MEN1KMT2ADUSP3TSHR
SCHEMBL17548767 0.79 ALDH1A1 (0.34) ALDH1A1HPRT1MEN1KMT2AMAPT
SCHEMBL22505095 0.79 KDM4E (0.41) ALDH1A1MEN1KMT2AMAPTDUSP3
SCHEMBL22505086 0.79 DUSP3 (0.38) ALDH1A1DUSP3TSHRNPC1L3MBTL1
SCHEMBL12447619 0.78 DUSP3 (0.40) ALDH1A1MEN1KMT2AMAPTDUSP3
SCHEMBL22505097 0.78 PDE10A (0.41) ALDH1A1MEN1KMT2AMAPTDUSP3
SCHEMBL16862708 0.78 MEN1 (0.43) ALDH1A1MEN1KMT2AMAPTGUSB

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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