SCHEMBL28047550

SCHEMBL28047550

CCc1cc(CN)ccc1NC(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
BACE1 P56817 1/20 0.39
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
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
SCHEMBL28047555 0.87 ALDH1A1 (0.41) ALDH1A1GAAMAPTBACE1CSNK2A2
SCHEMBL16030202 0.80 CYP1A2 (0.46) ALDH1A1GAAMAPTSMN1; SMN2KMT2A
SCHEMBL27660551 0.79 SKP2 (0.43) ALDH1A1GAAMAPTSMN1; SMN2KMT2A
SCHEMBL18550654 0.79 MAPK1 (0.49) ALDH1A1GAAMAPTSMN1; SMN2L3MBTL1
SCHEMBL28230722 0.78 L3MBTL1 (0.38) ALDH1A1GAAMAPTSMN1; SMN2KMT2A
SCHEMBL11137084 0.76 GAA (0.43) ALDH1A1GAAMAPTSMN1; SMN2KMT2A
SCHEMBL5527102 0.74 MAPT (0.69) ALDH1A1GAAMAPTKMT2AL3MBTL1
SCHEMBL27965049 0.73 POLB (0.35) ALDH1A1GAACSNK2A1SMN1; SMN2KMT2A
SCHEMBL11544764 0.72 ALDH1A1 (0.45) ALDH1A1GAAMAPTCYP1A2CYP3A4
SCHEMBL28231698 0.71 MAPT (0.53) ALDH1A1GAAMAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-105209450-A Molecules and intermediates having pesticidal utility, compositions and methods relating thereto DOW AGROSCIENCES LLC 2015-12-30 CN disclosed