SCHEMBL27600754

SCHEMBL27600754

Nc1cccc(CCOC=O)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.42
NOS1 P29475 5/20 0.40
NOS2 P35228 4/20 0.40
APP P05067 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA5 P08648 1/20 0.37
NOS3 P29474 2/20 0.34
CPB2 Q96IY4 1/20 0.33
KCNH2 Q12809 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CYBB P04839 1/20 0.32
NCF1 P14598 1/20 0.32
GRM4 Q14833 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32

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
SCHEMBL27600750 0.82 BACE1 (0.39) BACE1NOS1NOS2APPNOS3
SCHEMBL27633950 0.79 SMN1; SMN2 (0.42) NOS1NOS2NOS3KCNH2KDM4E
SCHEMBL28065632 0.79 CCR1 (0.34) KCNH2
SCHEMBL27777588 0.79 HTR7 (0.35) KCNH2
SCHEMBL27927802 0.76 BRD4 (0.37) KDM4E
SCHEMBL28255460 0.75 SMN1; SMN2 (0.31)
SCHEMBL27680513 0.75 BACE1 (0.43) BACE1NOS1NOS2APPITGB1
SCHEMBL5252807 0.71 HRH1 (0.50) KDM4E
SCHEMBL6014618 0.71 NOS1 (0.48) BACE1NOS1NOS2APPNOS3
SCHEMBL7980764 0.71 NOS1 (0.48) BACE1NOS1NOS2APPNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102083438-B The quinoline of conditioning agent and related analogs as silent message regulatory factor 西特里斯药业公司 2016-11-09 CN disclosed
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
CN-102227420-B Quinazolinone, quinolone and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2015-06-24 CN disclosed
CN-104193740-A BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC 2014-12-10 CN disclosed
CN-102143957-B Benzimidazoles and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2014-08-20 CN disclosed
CN-102143957-A Benzimidazoles and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2011-08-03 CN disclosed
CN-102112475-A Imidazopyridine and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2011-06-29 CN disclosed
CN-102083438-A Quenolines and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2011-06-01 CN disclosed
CN-1478077-A Benzamide compounds as APO B secretion inhibitors ����ҩƷ��ҵ��ʽ���� 2004-02-25 CN disclosed