SCHEMBL14400925

SCHEMBL14400925

O=S(=O)(O)OCCS(=O)(=O)c1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(/N=N/c4ccc(Nc5ccc(/N=N/c6cc(S(=O)(=O)O)cc7cc(S(=O)(=O)O)c(/N=N/c8ccc(S(=O)(=O)CCOS(=O)(=O)O)cc8)c(O)c67)c(O)c5)cc4O)c3c2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.51
▸ THRB P10828 2/20 0.48
▸ ENPP2 Q13822 8/20 0.48
▸ CD40 P25942 1/20 0.46
▸ CD40LG P29965 1/20 0.46
▸ FUT8 Q9BYC5 1/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ DNASE1L3 Q13609 1/20 0.43
▸ PHLPP2 Q6ZVD8 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 1/20 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
SCHEMBL14613209 0.93 PRMT1 (0.51) PRMT1THRBENPP2CD40CD40LG
SCHEMBL14374506 0.89 PRMT1 (0.41) PRMT1THRBENPP2CD40CD40LG
SCHEMBL14582587 0.83 PRMT1 (0.41) PRMT1THRBENPP2CD40CD40LG
SCHEMBL13880558 0.81 MEN1 (0.59) PRMT1THRBENPP2CYP1A2CYP2C9
SCHEMBL14495438 0.81 PRMT1 (0.51) PRMT1THRBENPP2CD40CD40LG
SCHEMBL4991205 0.80 PRMT1 (0.48) PRMT1THRBENPP2CD40CD40LG
SCHEMBL4991193 0.80 PRMT1 (0.48) PRMT1THRBENPP2CD40CD40LG
SCHEMBL14495377 0.78 ENPP2 (0.48) PRMT1THRBENPP2CD40CD40LG
SCHEMBL7977352 0.78 THRB (0.62) PRMT1THRBENPP2CYP1A2CYP2C9
SCHEMBL13069904 0.78 THRB (0.62) PRMT1THRBENPP2CYP1A2CYP2C9

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-8382857-B2 Method for the reactive coloration of leather BASF SE (DE) 2013-02-26 — — US disclosed
US-20070234488-A1 Method for the Reactive Coloration of Leather BASF AKTIENGESELLSCHAFT (DE) 2007-10-11 — — US disclosed
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