SCHEMBL29986908

SCHEMBL29986908

COc1cccnc1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
LTA4H P09960 2/20 0.45
MAPK14 Q16539 1/20 0.45
POLB P06746 1/20 0.44
PDE10A Q9Y233 4/20 0.43
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
ABCB1 P08183 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41

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
SCHEMBL27928053 1.00 KEAP1 (0.46) KEAP1NFE2L2LTA4HMAPK14POLB
Sulfuric Acid SCHEMBL28280142 0.91 NFE2L2 (0.47) KEAP1NFE2L2POLBPDE10APDE3B
Lactic Acid SCHEMBL28167496 0.87 KEAP1 (0.54) KEAP1NFE2L2POLBPDE10APDE3B
SCHEMBL5228828 0.85 LTA4H (0.41) KEAP1NFE2L2LTA4HMAPK14POLB
SCHEMBL1445606 0.81 KEAP1 (0.42) KEAP1NFE2L2PDE10APDE3BPDE3A
SCHEMBL31278328 0.79 PDE10A (0.44) LTA4HPOLBPDE10APDE3BPDE3A
SCHEMBL28071673 0.79 PDE10A (0.44) LTA4HPOLBPDE10APDE3BPDE3A
SCHEMBL506497 0.77 ALDH1A1 (0.55) POLBPDE10ACA12CA1CA2
SCHEMBL8371346 0.77 PLAU (0.44) NFE2L2PDE10ACA12CA1CA2
SCHEMBL1571379 0.76 LTA4H (0.46) LTA4HPDE10APDE3BPDE3AMAPT

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-115315521-A Culture medium for detecting bacillus cereus group 日水制药株式会社 2022-11-08 CN disclosed