SCHEMBL28068452

SCHEMBL28068452

CC(=O)N(S)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.50
GAA P10253 2/20 0.50
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
PLK1 P53350 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MMP9 P14780 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MMP3 P08254 1/20 0.38

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
SCHEMBL10958989 0.83 GAA (0.52) SIGMAR1GAANR4A1NR4A2NR4A3
SCHEMBL11360909 0.82 SIGMAR1 (0.51) SIGMAR1GAANR4A1NR4A2NR4A3
SCHEMBL5966385 0.81 SIGMAR1 (0.46) SIGMAR1GAANR4A1NR4A2NR4A3
SCHEMBL11024265 0.81 GAA (0.77) SIGMAR1GAANR4A1NR4A2NR4A3
SCHEMBL11543045 0.81 PLK1 (0.49) SIGMAR1GAANR4A1NR4A2NR4A3
SCHEMBL3626830 0.79 SIGMAR1 (0.67) SIGMAR1GAANR4A1NR4A2NR4A3
SCHEMBL28317409 0.78 SIGMAR1 (0.50) SIGMAR1GAANR4A1NR4A2NR4A3
SCHEMBL27525100 0.78 SIGMAR1 (0.50) SIGMAR1GAANR4A1NR4A2NR4A3
SCHEMBL28447749 0.78 SIGMAR1 (0.50) SIGMAR1GAANR4A1NR4A2NR4A3
SCHEMBL11722440 0.78 SIGMAR1 (0.50) SIGMAR1GAANR4A1NR4A2NR4A3

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-105623270-A Rubber composition and lubricating wear-resistant silicone rubber windshield wiper prepared from rubber composition BEIJING KAIRUIJIECHENG NEW MAT TECH CO LTD 2016-06-01 CN disclosed