SCHEMBL10586071

SCHEMBL10586071

O=S(=O)(O)c1ccc(Nc2ncncn2)c(S(=O)(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIMP3 P35625 2/20 0.44
▸ RAPGEF4 Q8WZA2 1/20 0.41
▸ CASP6 P55212 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ APEX1 P27695 2/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ELAVL1 Q15717 1/20 0.38
▸ NT5E P21589 1/20 0.37
▸ CHAT P28329 4/20 0.37

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
SCHEMBL10585378 0.88 TIMP3 (0.35) TIMP3RAPGEF4CASP6ALDH1A1KDM4E
SCHEMBL9422589 0.84 LRRK2 (0.45) CASP6ALDH1A1MAPTKMT2ASNCA
SCHEMBL7899594 0.80 CDK2 (0.42) RAPGEF4CASP6ALDH1A1KDM4EPOLB
SCHEMBL114494 0.78 CHAT (0.52) TIMP3RAPGEF4CASP6ALDH1A1KDM4E
SCHEMBL9484849 0.78 CA12 (0.47) TIMP3RAPGEF4CASP6ALDH1A1KDM4E
SCHEMBL30268659 0.78 CHAT (0.52) TIMP3RAPGEF4CASP6ALDH1A1KDM4E
SCHEMBL10777078 0.76 TIMP3 (0.40) TIMP3RAPGEF4CASP6ALDH1A1KDM4E
SCHEMBL7684666 0.76 SNCA (0.42) TIMP3ALDH1A1KDM4EGAAMAPT
SCHEMBL9462489 0.75 CHAT (0.44) TIMP3RAPGEF4CASP6ALDH1A1KDM4E
SCHEMBL7717587 0.75 TIMP3 (0.39) TIMP3RAPGEF4CASP6ALDH1A1KDM4E

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-0321784-A2 Formazane dyes containing heavy metals, process for their preparation and their use in dyeing and printing fibrous materials BAYER AG (DE) 1989-06-28 — — EP disclosed
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