SCHEMBL9799497

SCHEMBL9799497

CC(=O)Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1S(=O)(=O)O.O=C(Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 4/20 0.60
▸ CTDSP1 Q9GZU7 1/20 0.60
▸ PRMT1 Q99873 4/20 0.54
▸ APEX1 P27695 1/20 0.52
▸ ENPP2 Q13822 2/20 0.45
▸ ING2 Q9H160 1/20 0.44
▸ NSD2 O96028 3/20 0.43
▸ DUSP3 P51452 2/20 0.43
▸ PTPN5 P54829 2/20 0.43
▸ PTPN11 Q06124 2/20 0.43
▸ NT5E P21589 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ APBA1 Q02410 1/20 0.43
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ PRMT3 O60678 1/20 0.42
▸ EP300 Q09472 1/20 0.42
▸ PRMT6 Q96LA8 1/20 0.42
▸ SIRT1 Q96EB6 2/20 0.42

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
SCHEMBL7901329 0.86 APEX1 (0.60) CASP6CTDSP1PRMT1APEX1ENPP2
SCHEMBL3830931 0.86 CASP6 (0.77) CASP6CTDSP1PRMT1APEX1ENPP2
SCHEMBL1803722 0.84 CASP6 (0.52) CASP6CTDSP1PRMT1NSD2DUSP3
SCHEMBL3481043 0.79 PRMT1 (0.78) CASP6CTDSP1PRMT1NSD2DUSP3
SCHEMBL7814945 0.79 CASP6 (0.68) CASP6CTDSP1PRMT1APEX1ENPP2
SCHEMBL4117391 0.78 PRMT1 (0.76) CASP6CTDSP1PRMT1NSD2DUSP3
SCHEMBL7890022 0.78 CASP6 (0.78) CASP6CTDSP1PRMT1APEX1ENPP2
SCHEMBL27648929 0.77 CASP6 (0.81) CASP6CTDSP1PRMT1APEX1ENPP2
SCHEMBL11342001 0.76 PRMT1 (0.82) CASP6CTDSP1PRMT1APEX1ENPP2
SCHEMBL10907433 0.76 CASP6 (0.80) CASP6CTDSP1PRMT1APEX1ENPP2

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-5021559-A Water-soluble azo compounds containing a fiber-reactive group of the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 — — US disclosed
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