SCHEMBL3345995

SCHEMBL3345995

NCCNCCNNC(N)=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.50
CA6 P23280 5/20 0.50
CA7 P43166 5/20 0.50
CA9 Q16790 5/20 0.50
CA14 Q9ULX7 5/20 0.50
CA5B Q9Y2D0 5/20 0.50
CA2 P00918 4/20 0.50
CA4 P22748 4/20 0.50
CA5A P35218 4/20 0.50
ALOX15 P16050 4/20 0.50
LMNA P02545 3/20 0.50
CA3 P07451 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CA1 P00915 2/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 2/20 0.46
RECQL P46063 2/20 0.46
KMT2A Q03164 2/20 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
P-Xylene SCHEMBL28335736 0.86 ALDH1A1 (0.39) CA12CA6CA7CA9CA14
SCHEMBL28113884 0.85
SCHEMBL11773609 0.83
Potassium Ion SCHEMBL28452919 0.78 CA12 (0.46) CA12CA6CA7CA9CA14
SCHEMBL28457069 0.78 CA12 (0.46) CA12CA6CA7CA9CA14
SCHEMBL1662264 0.77 CA12 (0.50) CA12CA6CA7CA9CA14
Thiourea SCHEMBL3345993 0.77 CA12 (0.67) CA12CA6CA7CA9CA14
SCHEMBL28920597 0.75 CA12 (0.61) CA12CA6CA7CA9CA14
Trientine SCHEMBL29003404 0.75 CA12 (0.61) CA12CA6CA7CA9CA14
SCHEMBL3360351 0.75 CA12 (0.62) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107304111-A Based on sulfate-concrete under chloride environment organic type anti-corrosive rust inhibitor 中建西部建设新疆有限公司 2017-10-31 CN claimed
CN-103962072-B A kind of chemistry triggers microcapsules and preparation method thereof SHENZHEN UNIVERSITY (CN) 2016-04-20 CN claimed
CN-103962073-B A kind of chemistry triggers microcapsules and preparation method thereof SHENZHEN UNIVERSITY (CN) 2016-04-20 CN claimed
CN-103962072-A Chemical trigger microcapsule and preparation method thereof UNIV SHENZHEN 2014-08-06 CN claimed
CN-103962073-A Chemical trigger microcapsule and preparation method thereof UNIV SHENZHEN 2014-08-06 CN claimed
CN-107500601-B A kind of concrete corrosion resistant agent and the ready-mixed concrete using this corrosion inhibitor 启东海中港建材有限公司 2019-11-12 CN disclosed
CN-107500601-B A kind of concrete corrosion resistant agent and the ready-mixed concrete using this corrosion inhibitor 启东海中港建材有限公司 2019-11-12 CN disclosed
CN-107500601-A A kind of concrete corrosion resistant agent and the ready-mixed concrete using this corrosion inhibitor 启东海中港建材有限公司 2017-12-22 CN disclosed
CN-107500601-A A kind of concrete corrosion resistant agent and the ready-mixed concrete using this corrosion inhibitor 启东海中港建材有限公司 2017-12-22 CN disclosed
CN-107304111-A Based on sulfate-concrete under chloride environment organic type anti-corrosive rust inhibitor 中建西部建设新疆有限公司 2017-10-31 CN disclosed
CN-104478286-B A kind of compound concrete anti-corrosive rust inhibitor 湖南省建筑工程集团总公司 2016-06-29 CN disclosed
CN-103962072-B A kind of chemistry triggers microcapsules and preparation method thereof SHENZHEN UNIVERSITY (CN) 2016-04-20 CN disclosed
CN-103962073-B A kind of chemistry triggers microcapsules and preparation method thereof SHENZHEN UNIVERSITY (CN) 2016-04-20 CN disclosed
CN-103833256-B Microcapsule that chlorion triggers and preparation method thereof SHENZHEN UNIVERSITY (CN) 2015-10-21 CN disclosed
CN-103962072-A Chemical trigger microcapsule and preparation method thereof UNIV SHENZHEN 2014-08-06 CN disclosed
CN-103962073-A Chemical trigger microcapsule and preparation method thereof UNIV SHENZHEN 2014-08-06 CN disclosed
CN-103833256-A Chlorine ion triggered microcapsule and preparation method thereof UNIV SHENZHEN 2014-06-04 CN disclosed
WO-1998051902-A9 LOW TOXICITY CORROSION INHIBITOR BAKER HUGHES INCORPORATED (US) 2010-04-15 WO disclosed
EP-0983420-A1 LOW TOXICITY CORROSION INHIBITOR BAKER HUGHES INCORPORATED (US) 2000-03-08 EP disclosed
WO-1998051902-A1 LOW TOXICITY CORROSION INHIBITOR BAKER HUGHES INCORPORATED (US) 1998-11-19 WO disclosed