SCHEMBL343169

SCHEMBL343169

CCOc1cncc(OCC)c1CN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 10/20 1.00
LOX P28300 2/20 0.56
AOC1 P19801 3/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL27624877 0.77 AOC3 (0.63) AOC3LOXCA12CA1CA2
SCHEMBL5009758 0.77 AOC3 (0.63) AOC3LOXAOC1CA12CA1
Hydrochloric Acid SCHEMBL5012116 0.76 AOC3 (0.64) AOC3LOXAOC1ALDH1A1DPP4
SCHEMBL3934756 0.76 AOC3 (0.61) AOC3ALDH1A1HPGDKDM4EMEN1
Hydrochloric Acid SCHEMBL10352250 0.74 AOC3 (0.62) AOC3ALDH1A1HPGDKDM4EMEN1
SCHEMBL17372010 0.72 AOC3 (0.56) AOC3AOC1CA12CA1CA2
SCHEMBL25384122 0.71 AOC3 (0.55) AOC3CA12CA1CA2CA9
SCHEMBL11092365 0.70 AOC3 (0.53) AOC3CA12CA1CA2CA9
SCHEMBL25384084 0.68 AOC3 (0.52) AOC3LOXCA12CA1CA2
SCHEMBL31274793 0.68 AOC3 (0.52) AOC3LOXCA12CA1CA2

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
US-8906642-B2 Methods and compositions for the treatment and diagnosis of haemorrhagic conversion UNIVERSITAT AUTONOMA DE BARCELONA (ES) 2014-12-09 US disclosed
US-8636995-B2 Methods and devices to regulate stem cell homing CARDIAC PACEMAKERS, INC. (US) 2014-01-28 US disclosed
US-20120014939-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT AND DIAGNOSIS OF HAEMORRHAGIC CONVERSION UNIVERSITAT AUTONOMA DE BARCELONA (ES) 2012-01-19 US disclosed
EP-2357252-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT AND DIAGNOSIS OF HAEMORRHAGIC CONVERSION Universitat Autònoma De Barcelona (ES) 2011-08-17 EP disclosed
US-20080057027-A1 METHODS AND DEVICES TO REGULATE STEM CELL HOMING CARDIAC PACEMAKERS, INC (US) 2008-03-06 US disclosed
US-20080058922-A1 METHODS AND DEVICES EMPLOYING VAP-1 INHIBITORS CARDIAC PACEMAKERS, INC. (US) 2008-03-06 US disclosed