SCHEMBL1300528

SCHEMBL1300528

Oc1ccccc1C=NCCCCCN=Cc1ccccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 1.00
CA2 P00918 7/20 1.00
CA9 Q16790 6/20 1.00
KDM4E B2RXH2 2/20 0.81
CA1 P00915 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.52
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CTRC Q99895 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46

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
SCHEMBL709601 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1
SCHEMBL29707656 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1
SCHEMBL14353888 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1
SCHEMBL14353945 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1
SCHEMBL15456115 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1
SCHEMBL1300527 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1
SCHEMBL24435598 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1
SCHEMBL14353889 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1
SCHEMBL14353944 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1
SCHEMBL13784681 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1

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
US-20110269645-A1 Cell chip, method of manufacturing the same and device for manufacturing cell chip SAMSUNG ELECTRO-MECHANICS CO., LTD. (KR) 2011-11-03 US claimed
US-20140360288-A1 DROPLET FORMING DEVICE AND METHOD OF FORMING DROPLET USING THE SAME SAMSUNG ELECTRO-MECHANICS CO., LTD. (KR) 2014-12-11 US disclosed
US-20130184182-A1 BIO CHIP SAMSUNG ELECTRO-MECHANICS CO., LTD. 2013-07-18 US disclosed
US-20110269645-A1 Cell chip, method of manufacturing the same and device for manufacturing cell chip SAMSUNG ELECTRO-MECHANICS CO., LTD. (KR) 2011-11-03 US disclosed