SCHEMBL7087329

SCHEMBL7087329

O=C(O)Cc1cccc2c(=O)cc(-c3ccncc3)oc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.56
CYP1A1 P04798 5/20 0.56
CYP1B1 Q16678 5/20 0.56
CFTR P13569 2/20 0.56
POLB P06746 1/20 0.56
CYP2D6 P10635 3/20 0.53
CYP3A4 P08684 4/20 0.52
CYP2C19 P33261 3/20 0.52
STAT6 P42226 1/20 0.52
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
QPCT Q16769 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
GLA P06280 1/20 0.45
STING1 Q86WV6 1/20 0.45
CYP19A1 P11511 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45

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
Mitoflaxone SCHEMBL106705 0.90 CYP1A2 (0.62) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL12835503 0.87 CYP1A2 (0.60) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL12835338 0.86 TDP1 (0.57) CYP1A2CYP1A1CYP1B1POLBCYP2D6
SCHEMBL12835627 0.85 CYP2D6 (0.58) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL12835324 0.85 TNKS (0.59) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL12835505 0.85 CYP1A2 (0.56) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL9327900 0.85 CYP1A2 (0.56) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL7086520 0.84 CYP1A2 (0.55) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL7085632 0.83 CYP2D6 (0.53) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL9526684 0.83 CYP2D6 (0.56) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105198872-A Chromenone analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2015-12-30 CN disclosed
CN-102227417-B Chromenone analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2015-09-16 CN disclosed
EP-1328262-A2 A METHOD TO INCORPORATE N-(4-HYDROXYPHENYL) RETINAMIDE IN LIPOSOMES Board of Regents, The University of Texas System (US) 2003-07-23 EP disclosed
US-20020143062-A1 Method to incorporate N-(4-hydroxyphenyl) retinamide in liposomes BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-10-03 US disclosed
WO-2002032413-A2 A METHOD TO INCORPORATE N-(4-HYDROXYPHENYL) RETINAMIDE IN LIPOSOMES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-04-25 WO disclosed
EP-0341104-B1 Substituted flavonoid compounds, their salts, their manufacture and medicines containing these materials MERCK PATENT GMBH (DE) 1993-12-29 EP disclosed
US-5116954-A Antitumor agents LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1992-05-26 US disclosed
EP-0341104-A2 Substituted flavonoid compounds, their salts, their manufacture and medicines containing these materials MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed