SCHEMBL9256783

SCHEMBL9256783

Nc1ccc(S(=O)(=O)O)c(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4ccc(S(=O)(=O)CCO)cc4S(=O)(=O)O)c(N)c3c2O)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.48
▸ ENPP2 Q13822 7/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ PRMT1 Q99873 1/20 0.41
▸ CYP2C9 P11712 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ DNASE1L3 Q13609 1/20 0.39
▸ PHLPP2 Q6ZVD8 3/20 0.38
▸ CD40 P25942 1/20 0.38
▸ CD40LG P29965 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ FUT8 Q9BYC5 1/20 0.37
▸ APEX1 P27695 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
SCHEMBL10393488 0.90 CYP1A2 (0.53) THRBENPP2MEN1HTTKMT2A
SCHEMBL10648993 0.90 CYP1A2 (0.53) THRBENPP2MEN1HTTKMT2A
SCHEMBL10393695 0.86 PRMT1 (0.55) THRBENPP2MEN1HTTKMT2A
SCHEMBL10393483 0.86 PRMT1 (0.55) THRBENPP2MEN1HTTKMT2A
SCHEMBL8816878 0.85 ENPP2 (0.54) THRBENPP2MEN1HTTKMT2A
SCHEMBL8816868 0.85 ENPP2 (0.54) THRBENPP2MEN1HTTKMT2A
SCHEMBL8128624 0.84 PRMT1 (0.58) THRBENPP2MEN1HTTKMT2A
SCHEMBL10393846 0.84 PRMT1 (0.58) THRBENPP2MEN1HTTKMT2A
SCHEMBL8128621 0.84 PRMT1 (0.58) THRBENPP2MEN1HTTKMT2A
SCHEMBL10650586 0.84 PRMT1 (0.51) THRBENPP2MEN1HTTKMT2A

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
EP-0374758-B1 Water soluble dyes, methods for their preparation and their use HOECHST AG (DE) 1995-05-31 — — EP disclosed
US-5243034-A Disazo dyestuffs having a triazine moiety and a fiberreactive group of vinylsulfone series HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-07 — — US disclosed
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