SCHEMBL18984697

SCHEMBL18984697

CCCCN(CCCC)c1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.51
CYP1A2 P05177 3/20 0.51
ALDH1A1 P00352 8/20 0.49
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TSHR P16473 3/20 0.48
HPGD P15428 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
USP2 O75604 1/20 0.48
CASP1 P29466 1/20 0.48
RECQL P46063 1/20 0.48
CASP7 P55210 1/20 0.48
CYP3A4 P08684 3/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL18984698 0.90 MAPK1 (0.54) MAPK1CYP1A2ALDH1A1RAB9ANPC1
SCHEMBL6850488 0.83 ALDH1A1 (0.57) MAPK1CYP1A2ALDH1A1RAB9ANPC1
SCHEMBL6444104 0.81 MAPK1 (0.59) MAPK1CYP1A2ALDH1A1RAB9ANPC1
SCHEMBL11712277 0.81 AR (0.46) MAPK1ALDH1A1L3MBTL1MAPTMEN1
Anthraquinone SCHEMBL30252392 0.79 MAPK1 (0.47) MAPK1CYP1A2ALDH1A1RAB9ANPC1
SCHEMBL4192812 0.79 PTPN1 (0.54) MAPK1ALDH1A1MAPTLMNAHPGD
SCHEMBL14982137 0.77 ALDH1A1 (0.62) MAPK1CYP1A2ALDH1A1RAB9ANPC1
SCHEMBL18984703 0.77 MAPK1 (0.54) MAPK1CYP1A2ALDH1A1RAB9ANPC1
SCHEMBL28460266 0.76 AR (0.59) MAPK1CYP1A2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9312227 0.76 NPC1 (0.46) MAPK1CYP1A2ALDH1A1RAB9ANPC1

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 4 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