SCHEMBL11291103

SCHEMBL11291103

CCn1c(O)c(N=Nc2ccc(S(=O)(=O)O)c(N)c2)c(CS(=O)(=O)O)c(C#N)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CA12 O43570 5/20 0.36
▸ CA1 P00915 5/20 0.36
▸ CA2 P00918 5/20 0.36
▸ CA9 Q16790 5/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ MITF O75030 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SENP2 Q9HC62 3/20 0.33
▸ SENP1 Q9P0U3 2/20 0.33

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
SCHEMBL10616418 0.86 MAPT (0.34) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL11323710 0.85 MAPT (0.47) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL11335005 0.85 MAPT (0.47) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL8779943 0.80 MAPT (0.48) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL8779916 0.79 MAPT (0.39) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL8779940 0.79 MAPT (0.36) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL8779994 0.79 CA12 (0.42) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL8972644 0.77 MAPT (0.37) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL13759100 0.75 MAPT (0.47) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL11335000 0.75 MAPT (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0059355-A2 Use of reactive dyestuffs in dyeing and printing of hydroxylgroups containing fibrous materials BAYER AG (DE) 1982-09-08 — — EP disclosed
US-4263206-A Reactive dyestuffs containing chlorine or fluorine substituents and one or more 1,3-dicyanobenzene radicals linked to the dyestuff at the 2-, 4- or 6-position IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-04-21 — — US disclosed
US-4213899-A FOR CELLULOSE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-07-22 — — US disclosed
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