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Sugi Predict / Compounds / SCHEMBL13962356

SCHEMBL13962356

SCHEMBL13962356

Cc1cccc(Nc2ccc(Nc3cccc(C)c3)c3c2C(=O)c2c(Nc4cccc(C)c4)ccc(Nc4cccc(C)c4)c2C3=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.55
▸ ADORA2A P29274 1/20 0.51
▸ P2RY2 P41231 1/20 0.51
▸ P2RY4 P51582 1/20 0.51
▸ P2RY6 Q15077 1/20 0.51
▸ P2RY12 Q9H244 1/20 0.51
▸ AKR1C3 P42330 2/20 0.50
▸ AKR1C2 P52895 2/20 0.50
▸ PTGS1 P23219 2/20 0.49
▸ PTGS2 P35354 2/20 0.49
▸ BRD4 O60885 1/20 0.49
▸ KAT2B Q92831 1/20 0.49
▸ BRD9 Q9H8M2 1/20 0.49
▸ MAPT P10636 5/20 0.49
▸ HTT P42858 2/20 0.49
▸ HAVCR2 Q8TDQ0 1/20 0.47
▸ TBXA2R P21731 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 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
SCHEMBL21567666 0.91 PRKCA (0.48) NPSR1ADORA2AP2RY2P2RY4P2RY6
SCHEMBL11576581 0.90 P2RY4 (0.63) NPSR1ADORA2AP2RY2P2RY4P2RY6
SCHEMBL17342960 0.87 P2RY12 (0.60) NPSR1ADORA2AP2RY2P2RY4P2RY6
SCHEMBL13346025 0.87 P2RY4 (0.54) NPSR1ADORA2AP2RY2P2RY4P2RY6
SCHEMBL30508524 0.85 P2RY4 (0.58) NPSR1ADORA2AP2RY2P2RY4P2RY6
SCHEMBL14255728 0.85 P2RY4 (0.61) NPSR1ADORA2AP2RY2P2RY4P2RY6
SCHEMBL29448193 0.85 P2RY4 (0.58) NPSR1ADORA2AP2RY2P2RY4P2RY6
SCHEMBL717132 0.85 P2RY4 (0.58) NPSR1ADORA2AP2RY2P2RY4P2RY6
SCHEMBL11413805 0.84 ADORA2A (0.55) NPSR1ADORA2AP2RY2P2RY4P2RY6
SCHEMBL30101406 0.84 ADORA2A (0.55) NPSR1ADORA2AP2RY2P2RY4P2RY6

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 11 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
US-20090006004-A1 Method for Determining the Identity, Absence and Concentration of a Chemical Compound in a Medium BASF SE (DE) 2009-01-01 — — US disclosed
US-20090006004-A1 Method for Determining the Identity, Absence and Concentration of a Chemical Compound in a Medium BASF SE (DE) 2009-01-01 — — US disclosed
US-20080057589-A1 Method For Determining The Presence Of A Chemical Compound Which Is Homogeneously Distributed In A Medium By Means Of Cross-Correlating A Measuring Spectrum With Reference Spectra BASF AKTIENGESELLSCHAFT (DE) 2008-03-06 — — US disclosed
US-20080057589-A1 Method For Determining The Presence Of A Chemical Compound Which Is Homogeneously Distributed In A Medium By Means Of Cross-Correlating A Measuring Spectrum With Reference Spectra BASF AKTIENGESELLSCHAFT (DE) 2008-03-06 — — US disclosed
WO-2007074156-A1 METHOD FOR DETERMINING THE IDENTITY, ABSENCE AND CONCENTRATION OF A CHEMICAL COMPOUND IN A MEDIUM BASF SE (DE) 2007-07-05 — — WO disclosed
US-20070149415-A1 Power and lubricant additive concentrates containing at least one anthrachinone derivative as a marking substance BASF AKTIENGESELLSCHAFT (DE) 2007-06-28 — — US disclosed
US-20070149415-A1 Power and lubricant additive concentrates containing at least one anthrachinone derivative as a marking substance BASF AKTIENGESELLSCHAFT (DE) 2007-06-28 — — US disclosed
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