SCHEMBL11323710

SCHEMBL11323710

CCn1c(O)c(N=Nc2ccc(S(=O)(=O)O)cc2)c(CS(=O)(=O)O)c(C#N)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ PKM P14618 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPK1 P28482 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CA12 O43570 7/20 0.43
▸ CA1 P00915 7/20 0.43
▸ CA2 P00918 7/20 0.43
▸ CA9 Q16790 7/20 0.43
▸ POLB P06746 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CYP2C19 P33261 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL11335005 1.00 MAPT (0.47) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL11291103 0.85 MAPT (0.40) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL11335000 0.84 MAPT (0.46) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL10616418 0.79 MAPT (0.34) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL16429376 0.78 CA12 (0.45) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL17087388 0.77 MAPT (0.46) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL17087529 0.75 CA12 (0.43) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL16429524 0.73 CA12 (0.41) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL13759100 0.73 MAPT (0.47) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL17856432 0.73 CA12 (0.44) MAPTKMT2AMEN1ALDH1A1PKM

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
US-4248772-A Positively or negatively charged azo compounds containing a ballasting group CIBA-GEIGY AG (CH) 1981-02-03 — — US disclosed
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