SCHEMBL9851906

SCHEMBL9851906

Oc1cccc2c(=S)c3ccccc3oc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.64
EGFR P00533 1/20 0.54
KDM5A P29375 1/20 0.49
ALOX5 P09917 2/20 0.45
ATP1A1 P05023 2/20 0.44
ATP1B1 P05026 2/20 0.44
ATP1A3 P13637 2/20 0.44
ATP1B2 P14415 2/20 0.44
ATP1A2 P50993 2/20 0.44
ATP1B3 P54709 2/20 0.44
FXYD2 P54710 2/20 0.44
ATP1A4 Q13733 2/20 0.44
PTGS2 P35354 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 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
SCHEMBL1301738 0.84 MAOA (0.72) MAOAEGFRKDM5AALOX5ATP1A1
SCHEMBL5608879 0.78 AHR (0.50) MAOAKDM4EMEN1CYP3A4MAPT
SCHEMBL9851951 0.78 CDC14B (0.39) MAOAEGFRKDM5AALOX5PTGS2
SCHEMBL1788224 0.78 MAOA (1.00) MAOAEGFRKDM5AATP1A1ATP1B1
SCHEMBL195537 0.77 ALDH1A1 (0.56) MAOACA12CA1CA9KDM4E
SCHEMBL29487286 0.77 ALDH1A1 (0.56) MAOACA12CA1CA9KDM4E
SCHEMBL4641109 0.76 MAOA (0.72) MAOAEGFRKDM5AALOX5ATP1A1
SCHEMBL3135566 0.74 LMNA (0.38) MAOACA1KDM4EMEN1CYP3A4
SCHEMBL9851899 0.74 KDM4E (0.46) MAOAALOX5KDM4EMEN1CYP3A4
SCHEMBL30751958 0.73 DYRK1A (0.59) MAOAEGFRKDM5AALOX5PTGS2

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
EP-0441221-A1 Method for preventing the appearance of efflorescence of mineral substrates BASF Aktiengesellschaft (DE) 1991-08-14 EP disclosed