SCHEMBL13541419

SCHEMBL13541419

C=CS(=O)(=O)c1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4cc(NC(=O)C(CC)S(=O)(=O)C=C)ccc4S(=O)(=O)O)c(O)c3c2N)c(S(=O)(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.41
▸ CD40LG P29965 1/20 0.41
▸ ENPP2 Q13822 12/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FUT8 Q9BYC5 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ PRMT1 Q99873 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
SCHEMBL13541420 0.93 ENPP2 (0.41) CD40CD40LGENPP2MEN1HTT
SCHEMBL14514271 0.82 ENPP2 (0.43) CD40CD40LGENPP2MEN1HTT
SCHEMBL14223670 0.76 PRMT1 (0.51) CD40CD40LGENPP2MEN1HTT
SCHEMBL12172924 0.76 ENPP2 (0.43) CD40CD40LGENPP2MEN1HTT
SCHEMBL13880757 0.75 THRB (0.44) CD40CD40LGENPP2MEN1HTT
SCHEMBL14141470 0.75 ENPP2 (0.47) CD40CD40LGENPP2MEN1HTT
SCHEMBL15671909 0.75 PRMT1 (0.61) ENPP2MEN1HTTKMT2ATHRB
SCHEMBL10650586 0.75 PRMT1 (0.51) CD40CD40LGENPP2MEN1HTT
SCHEMBL14149031 0.74 FUT8 (0.46) CD40CD40LGENPP2MEN1HTT
SCHEMBL15363314 0.73 FUT8 (0.40) CD40CD40LGENPP2MEN1HTT

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
US-7641724-B2 Suitable for dyeing or printing dyeing or printing cellulosic fibre and which yield dyeings fast to wet treatment and light; good build-up behaviour, yield dyeings of a deep shade having good fastness HUNTSMAN INTERNATIONAL LLC (US) 2010-01-05 — — US disclosed
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