SCHEMBL4093516

SCHEMBL4093516

CCCCCc1ccc2cccnc2c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
BCHE P06276 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
SLC40A1 Q9NP59 1/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 2/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL14649475 0.80 CYP3A4 (0.47) CYP3A4EGLN1SLC40A1RAB9ANPC1
SCHEMBL1817199 0.77 EGLN1 (0.46) CYP3A4EGLN1SLC40A1RAB9ANPC1
SCHEMBL1811504 0.77 CYP3A4 (0.44) CYP3A4EGLN1SLC40A1RAB9ANPC1
SCHEMBL19113796 0.76 LMNA (0.46) CYP3A4SLC40A1RAB9ANPC1MEN1
SCHEMBL1507742 0.75 RAB9A (0.55) CYP3A4EGLN1BCHESLC40A1RAB9A
SCHEMBL10705017 0.74 TRPV1 (0.49) CYP3A4EGLN1BCHETRPV1RAB9A
SCHEMBL1814575 0.74 EGLN1 (0.44) CYP3A4EGLN1RAB9ANPC1MEN1
SCHEMBL1813245 0.74 EGLN1 (0.44) CYP3A4EGLN1RAB9ANPC1MEN1
SCHEMBL2084240 0.73 TRPV1 (0.50) CYP3A4TRPV1RAB9ANPC1MEN1
SCHEMBL11759262 0.73 TYR (0.49) CYP3A4EGLN1BCHETRPV1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056823-A2 8-HYDROXYQUINOLINE COMPOUNDS AND METHODS THEREOF Wyeth (US) 2009-05-13 EP disclosed
WO-2008024922-A2 8-HYDROXYQUINOLINE COMPOUNDS AND METHODS THEREOF WYETH (US) 2008-02-28 WO disclosed