SCHEMBL14374482

SCHEMBL14374482

Nc1c(N=Nc2ccc(S(=O)(=O)CCOSOOO)cc2)c(SOOO)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(S(=O)(=O)Nc4ccc(N=Nc5c(O)ccc(N=Nc6ccc(NS(=O)(=O)c7ccc(/N=N/c8c(S(=O)(=O)O)cc9cc(SOOO)c(/N=N/c%10ccc(S(=O)(=O)CCOSOOO)cc%10)c(N)c9c8O)cc7)cc6)c5O)cc4)cc3)c(O)c12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.45
▸ ENPP2 Q13822 9/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.36
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AMY1A P0DUB6 1/20 0.32
▸ PRMT1 Q99873 1/20 0.32

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
SCHEMBL14374479 0.97 THRB (0.45) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL14374475 0.95 ENPP2 (0.43) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL14374477 0.95 ENPP2 (0.43) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL14374478 0.95 ENPP2 (0.43) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL14374476 0.93 ENPP2 (0.43) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL14582566 0.93 ENPP2 (0.42) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL14582565 0.93 ENPP2 (0.42) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL14582570 0.93 ENPP2 (0.42) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL13880953 0.92 THRB (0.45) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL14582572 0.92 THRB (0.38) THRBENPP2PHLPP2CD40CD40LG

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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