SCHEMBL18801579

SCHEMBL18801579

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(NC(=O)CCCS(=O)(=O)CCOS(=O)(=O)O)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.55
▸ ENPP2 Q13822 12/20 0.40
▸ CD40 P25942 1/20 0.40
▸ CD40LG P29965 1/20 0.40
▸ CA2 P00918 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ PRMT3 O60678 1/20 0.36
▸ EP300 Q09472 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36
▸ PRMT1 Q99873 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ PHLPP2 Q6ZVD8 1/20 0.35
▸ AMY1A P0DUB6 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
SCHEMBL13880598 0.86 THRB (0.60) THRBENPP2CD40CD40LGCA2
SCHEMBL12955080 0.82 THRB (0.75) THRBENPP2CD40CD40LGCA2
SCHEMBL31122162 0.82 THRB (0.75) THRBENPP2CD40CD40LGCA2
SCHEMBL1755507 0.82 THRB (0.75) THRBENPP2CD40CD40LGCA2
SCHEMBL13880757 0.82 THRB (0.44) THRBENPP2CD40CD40LGCA2
SCHEMBL13366826 0.82 THRB (0.65) THRBENPP2CD40CD40LGCA2
SCHEMBL14388840 0.82 THRB (0.63) THRBENPP2CD40CD40LGCA2
SCHEMBL14388939 0.81 THRB (0.55) THRBENPP2CD40CD40LGCA2
SCHEMBL2304017 0.81 THRB (0.74) THRBENPP2CD40CD40LGCA2
SCHEMBL21221487 0.81 THRB (0.74) THRBENPP2CD40CD40LGCA2

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
EP-2536791-B1 MIXTURES OF FIBRE-REACTIVE DYES AND THEIR USE IN A METHOD FOR DI- OR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MAT (SWITZERLAND) GMBH (CH) 2017-05-03 — — EP disclosed
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