SCHEMBL28921997

SCHEMBL28921997

CNC(=S)SSC(=S)N(C)Cc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.78
ALDH1A1 P00352 4/20 0.51
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ABCC1 P33527 1/20 0.43
FAAH O00519 2/20 0.42
PHGDH O43175 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL8465131 0.88 MGLL (1.00) MGLLALDH1A1CA12CA9CA1
SCHEMBL17966398 0.83 MGLL (0.89) MGLLALDH1A1CA12CA9CA1
SCHEMBL16628497 0.76 MGLL (0.76) MGLLALDH1A1CA12CA9CA1
SCHEMBL11528266 0.76 CA12 (0.59) MGLLALDH1A1CA12CA9CA1
SCHEMBL27992535 0.75 MGLL (0.73) MGLLALDH1A1CA12CA9CA1
SCHEMBL28815421 0.75 MGLL (0.73) MGLLALDH1A1CA12CA9CA1
SCHEMBL27773041 0.72 CA12 (0.68) MGLLALDH1A1CA12CA9CA1
SCHEMBL10262049 0.70 CA12 (0.66) MGLLALDH1A1CA12CA9CA1
SCHEMBL11099519 0.70 CA12 (0.66) MGLLALDH1A1CA12CA9CA1
Bis(Dibenzylaminethiocarbonyl)Disulfide SCHEMBL80045 0.70 MGLL (1.00) MGLLALDH1A1CA12CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113105831-A High-bonding-strength high-molecular bonding resin 江苏大易材料科技有限公司 2021-07-13 CN claimed