SCHEMBL28047555

SCHEMBL28047555

CCc1ccc(CN)cc1NC(N)=S

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.36
BACE1 P56817 1/20 0.36
MAOA P21397 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
ALOX12 P18054 2/20 0.35
CYP2C19 P33261 2/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL28230722 0.88 L3MBTL1 (0.38) ALDH1A1GAAMAPTSMN1; SMN2KMT2A
SCHEMBL28047550 0.87 ALDH1A1 (0.41) ALDH1A1GAAMAPTCSNK2A2CSNK2B
SCHEMBL16030581 0.80 GAA (0.47) ALDH1A1GAAMAPTSMN1; SMN2KMT2A
SCHEMBL29559388 0.80 GAA (0.47) ALDH1A1GAAMAPTSMN1; SMN2KMT2A
SCHEMBL28135889 0.79 EPHX1 (0.53) ALDH1A1MAPTSMN1; SMN2KMT2AALOX12
SCHEMBL27965049 0.76 POLB (0.35) ALDH1A1GAACSNK2A1SMN1; SMN2KMT2A
SCHEMBL1696247 0.76 CSNK2A1 (0.41) ALDH1A1GAAMAPTCSNK2A2CSNK2B
SCHEMBL28135906 0.75 CSNK2A1 (0.39) ALDH1A1GAAMAPTCSNK2A2CSNK2B
SCHEMBL5527102 0.74 MAPT (0.69) ALDH1A1GAAMAPTKMT2AL3MBTL1
SCHEMBL18656545 0.71 CSNK2A1 (0.46) GAACSNK2A2CSNK2BCSNK2A1CSNK2A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106572658-B Molecule and relative intermediate, composition and method with certain disinsection efficiencies 美国陶氏益农公司 2019-11-08 CN disclosed
CN-107573295-A Molecule and intermediate, composition and its correlation technique with certain agricultural chemicals effectiveness 美国陶氏益农公司 2018-01-12 CN disclosed
CN-105209450-B Molecules and intermediates having pesticidal utility, compositions and methods relating thereto 美国陶氏益农公司 2017-10-20 CN disclosed
CN-106572658-A Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto 美国陶氏益农公司 2017-04-19 CN disclosed
CN-105209450-A Molecules and intermediates having pesticidal utility, compositions and methods relating thereto DOW AGROSCIENCES LLC 2015-12-30 CN disclosed