SCHEMBL9543511

SCHEMBL9543511

O=C1c2ccccc2C(=O)c2cc(Nc3ccccc3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.59
ACE2 Q9BYF1 1/20 0.57
MAPT P10636 9/20 0.56
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
ALDH1A1 P00352 6/20 0.56
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
MAOA P21397 1/20 0.56
MAPK1 P28482 4/20 0.54
HTT P42858 4/20 0.54
PKM P14618 2/20 0.54
THRB P10828 1/20 0.53
TSHR P16473 2/20 0.52
CYP1A2 P05177 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
PTGS1 P23219 1/20 0.52

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
SCHEMBL14675727 0.98 APP (0.57) APPACE2MAPTMEN1KMT2A
Anthraquinone SCHEMBL28378374 0.87 MEN1 (0.63) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
Anthraquinone SCHEMBL28323700 0.87 MEN1 (0.63) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8654198 0.87 STAT3 (0.60) APPACE2MAPTMEN1KMT2A
SCHEMBL21635984 0.86 CYP1A2 (0.59) APPACE2MAPTMEN1KMT2A
SCHEMBL22625591 0.83 NPC1 (0.56) APPACE2MAPTMEN1KMT2A
SCHEMBL7930873 0.83 MEN1 (0.56) APPACE2MAPTMEN1KMT2A
SCHEMBL29664158 0.80 MAPK14 (0.59) APPMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29664046 0.79 MAPK14 (0.58) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13877018 0.79 MAPK14 (0.81) MAPK14

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10263308-B2 Solar flow battery CORNELL UNIVERSITY (US) 2019-04-16 US disclosed
US-10079401-B2 Symmetric redox flow battery containing organic redox active molecule CORNELL UNIVERSITY (US) 2018-09-18 US disclosed
US-20170187059-A1 SYMMETRIC REDOX FLOW BATTERY CONTAINING ORGANIC REDOX ACTIVE MOLECULE CORNELL UNIVERSITY (US) 2017-06-29 US disclosed
US-20170179558-A1 SOLAR FLOW BATTERY CORNELL UNIVERSITY (US) 2017-06-22 US disclosed
WO-1993009471-A1 POLYAMIDE MATERIALS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-13 WO disclosed