SCHEMBL28059480

SCHEMBL28059480

NCN(NC(N)=S)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
TP53 P04637 1/20 0.41
TYR P14679 1/20 0.41
TSHR P16473 1/20 0.41
TAS2R38 P59533 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 5/20 0.38
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
ALOX12 P18054 3/20 0.36
MAPT P10636 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL9446580 0.85 ALDH1A1 (0.51) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL15775370 0.83 ALDH1A1 (0.44) ALDH1A1TP53TYRTSHRTAS2R38
Water SCHEMBL28266025 0.83 ALDH1A1 (0.50) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL11598307 0.80 ALDH1A1 (0.41) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL9615041 0.79 ALDH1A1 (0.40) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3797066 0.75 KMT2A (0.59) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL9082914 0.74 ALDH1A1 (0.50) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL11875734 0.72 ALDH1A1 (0.48) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL27839869 0.72 ALDH1A1 (0.48) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL28420044 0.72 ALDH1A1 (0.48) ALDH1A1TP53TYRTSHRTAS2R38

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-105358602-B modified resin and resin composition 旭化成株式会社 2018-12-04 CN disclosed
CN-107629183-A Modified resin and resin combination 旭化成株式会社 2018-01-26 CN disclosed
CN-105358602-A Modified resin and resin composition ASAHI KASEI CHEMICALS CORP 2016-02-24 CN disclosed