SCHEMBL6159066

SCHEMBL6159066

CNc1cc(OC)ccc1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
KDM4E B2RXH2 4/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SQOR Q9Y6N5 1/20 0.43
GSK3B P49841 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
APP P05067 2/20 0.42

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
SCHEMBL6161635 0.90 STAT3 (0.48) STAT3CYP1A1CYP1B1KDM4ECYP2C19
SCHEMBL30979884 0.82 APP (0.51) CYP1A1CYP1B1KDM4ECYP2C19CYP1A2
SCHEMBL15588476 0.82 APP (0.51) CYP1A1CYP1B1KDM4ECYP2C19CYP1A2
SCHEMBL6161978 0.82 IKBKB (0.41) STAT3KDM4ECYP2C19CYP2C9MAPT
SCHEMBL10274703 0.81 GSTP1 (0.59) CYP2C19CYP1A2CYP2D6CYP2C9NPC1
SCHEMBL24767596 0.77 CYP1A1 (0.48) CYP1A1CYP1B1KDM4ECYP2C19CYP1A2
SCHEMBL16428835 0.77 KMT2A (0.55) CYP1A1CYP1B1KDM4ECYP2C19CYP1A2
SCHEMBL8563139 0.77 CYP1A1 (0.62) CYP1A1CYP1B1KDM4ECYP2C19CYP1A2
SCHEMBL15658874 0.77 CYP1A1 (0.48) CYP1A1CYP1B1KDM4ECYP2C19CYP1A2
SCHEMBL6068558 0.75 CYP2C19 (0.55) KDM4ECYP2C19CYP1A2CYP2D6CYP2C9

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
EP-0755923-B1 Ameliorant or remedy for symptoms caused by Ischemic diseases and Phenylpiperidine compounds useful therefor DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
US-6469010-B1 COMPOSITION ALSO FOR ALLEVIATION OR TREATMENT OF SYMPTOMS DERIVED FROM SEIZURES, EPILEPSY AND MIGRAINE HEADACHES, AND SUPPRESSION OF CALCIUM ION OVERLOAD SUNTORY LIMITED (JP) 2002-10-22 US disclosed
US-6048876-A ANTICONVULSANTS; ANTIEPILEPIC AGENT SUNTORY LIMITED (JP) 2000-04-11 US disclosed
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 EP disclosed