SCHEMBL3824704

SCHEMBL3824704

C=Cc1ccc2cc(OC)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.57
HDAC6 Q9UBN7 4/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC1 Q13547 2/20 0.57
NCF1 P14598 1/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
NQO1 P15559 1/20 0.54
F2R P25116 2/20 0.50
CYP1A2 P05177 3/20 0.46
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
CYP2A6 P11509 1/20 0.46
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL29597329 0.87 HDAC8 (0.66) HDAC8HDAC6HDAC2HDAC1NCF1
SCHEMBL1337274 0.83 HDAC8 (0.61) HDAC8HDAC6HDAC2HDAC1NCF1
SCHEMBL27765943 0.82 MAPT (0.59) HDAC8HDAC6HDAC2HDAC1NCF1
SCHEMBL14912423 0.81 HDAC8 (0.59) HDAC8HDAC6HDAC2HDAC1NCF1
SCHEMBL14912427 0.81 HDAC8 (0.59) HDAC8HDAC6HDAC2HDAC1NCF1
SCHEMBL29022054 0.80 HDAC8 (0.62) HDAC8HDAC6HDAC2HDAC1NCF1
SCHEMBL30442203 0.80 HDAC8 (0.62) HDAC8HDAC6HDAC2HDAC1NCF1
SCHEMBL31018924 0.79 HDAC8 (0.60) HDAC8HDAC6HDAC2HDAC1NCF1
SCHEMBL19076213 0.78 KDM4E (0.61) HDAC8HDAC6HDAC2HDAC1NCF1
SCHEMBL29021885 0.78 KDM4E (0.61) HDAC8HDAC6HDAC2HDAC1NCF1

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-101591291-A The synthetic method of 2-ethenyl quinoline compound INST MATERIA MEDICA CAMS (CN) 2009-12-02 CN claimed
CN-101591291-B Synthesis method of 2-ethenyl quinoline compound INST MATERIA MEDICA CAMS 2012-07-18 CN disclosed
CN-101591291-A The synthetic method of 2-ethenyl quinoline compound INST MATERIA MEDICA CAMS (CN) 2009-12-02 CN disclosed
EP-1796466-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
EP-1796466-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-06-20 EP disclosed
WO-2006002047-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-05 WO disclosed
EP-0538789-B1 Diene polymers having reduced hysteresis and improved raw viscosity incorporating primary partial coupling and terminals formed from vinyl compounds containing heterocyclic nitrogen groups BRIDGESTONE CORP (JP) 1995-12-13 EP disclosed
EP-0538789-A1 Diene polymers having reduced hysteresis and improved raw viscosity incorporating primary partial coupling and terminals formed from vinyl compounds containing heterocyclic nitrogen groups BRIDGESTONE CORPORATION (JP) 1993-04-28 EP disclosed