SCHEMBL9696584

SCHEMBL9696584

NNc1ccc2c(O)cc(S(=O)(=O)O)cc2c1S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.48
▸ CASP6 P55212 5/20 0.48
▸ NSD2 O96028 3/20 0.48
▸ DUSP3 P51452 2/20 0.48
▸ PTPN5 P54829 2/20 0.48
▸ PTPN11 Q06124 2/20 0.48
▸ NT5E P21589 3/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ CASP7 P55210 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ HPGD P15428 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ APEX1 P27695 1/20 0.35
▸ TSHR P16473 1/20 0.34

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
SCHEMBL11036814 0.85 PRMT1 (0.48) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL1803722 0.81 CASP6 (0.52) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL12947901 0.80 CASP6 (0.46) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL713434 0.80 CASP6 (0.55) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL29415548 0.80 CASP6 (0.55) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL29516387 0.80 CASP6 (0.55) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL10509094 0.78 PRMT1 (0.48) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL7901329 0.77 APEX1 (0.60) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL10780062 0.77 CASP6 (0.67) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL21589350 0.77 ALDH1A1 (0.55) PRMT1CASP6NSD2DUSP3PTPN5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116957-A REACTIVE AZO DYESTUFFS HAVING A FLUOROTRIAZINE GROUP AND IMPROVED FIXATION PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1992-05-26 — — US disclosed
US-4126609-A AZO DYESTUFF WITH A FIBER-REACTIVE GROUP ATTACHED TO A NAPHTHALENE SULPHONIC ACID COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1978-11-21 — — US disclosed
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