SCHEMBL3976299

SCHEMBL3976299

Clc1ccc(OCc2ccccc2)c2ncccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.63
MAPT P10636 6/20 0.63
ALDH1A1 P00352 2/20 0.63
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
KMT2A Q03164 1/20 0.60
MAPK1 P28482 2/20 0.59
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 4/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PKM P14618 1/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX12 P18054 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 1/20 0.52
GAA P10253 2/20 0.50
SLC40A1 Q9NP59 1/20 0.50
LTA4H P09960 1/20 0.50

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
SCHEMBL16407670 0.82 PSMD14 (0.53) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL29862716 0.82 SLC40A1 (0.50) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL6600225 0.82 LTA4H (0.58) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL13625118 0.82 SLC40A1 (0.50) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL10333926 0.81 KDM4E (0.57) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL10650819 0.80 PKM (0.62) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL16364141 0.80 KDM4E (0.59) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL17960047 0.79 SLC40A1 (0.54) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL28594857 0.78 LIPE (0.55) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL8346630 0.78 NPC1 (0.55) KDM4EMAPTALDH1A1RAB9ANPC1

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 6 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
US-5817520-A USING A QUINOLINIUM INDICATOR OXIS INTERNATIONAL S.A. (FR) 1998-10-06 US disclosed
EP-0643698-B1 SPECTROPHOTOMETRIC METHODS FOR ASSAYING TOTAL MERCAPTANS, REDUCED GLUTATHIONE (GSH) AND MERCAPTANS OTHER THAN GSH IN AN AQUEOUS MEDIUM, REAGENTS AND KITS FOR THEIR IMPLEMENTATION OXIS INT SA (FR) 1997-03-05 EP disclosed
EP-0643698-A1 SPECTROPHOTOMETRIC METHODS FOR ASSAYING TOTAL MERCAPTANS, REDUCED GLUTATHIONE (GSH) AND MERCAPTANS OTHER THAN GSH IN AN AQUEOUS MEDIUM, REAGENTS AND KITS FOR IMPLEMENTING SAME. BIOXYTECH (FR) 1995-03-22 EP disclosed
WO-1993013071-A1 SPECTROPHOTOMETRIC METHODS FOR ASSAYING TOTAL MERCAPTANS, REDUCED GLUTATHIONE (GSH) AND MERCAPTANS OTHER THAN GSH IN AN AQUEOUS MEDIUM, REAGENTS AND KITS FOR IMPLEMENTING SAME BIOXYTECH (FR) 1993-07-08 WO disclosed