SCHEMBL14514271

SCHEMBL14514271

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.43
▸ FUT8 Q9BYC5 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CD40 P25942 1/20 0.41
▸ CD40LG P29965 1/20 0.41
▸ PRMT1 Q99873 2/20 0.39
▸ THRB P10828 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ DNASE1L3 Q13609 1/20 0.37
▸ PHLPP2 Q6ZVD8 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL13541419 0.82 CD40 (0.41) ENPP2FUT8MEN1HTTKMT2A
SCHEMBL15671909 0.80 PRMT1 (0.61) ENPP2MEN1HTTKMT2ACYP1A2
SCHEMBL9011686 0.79 ENPP2 (0.52) ENPP2MEN1HTTKMT2ACYP1A2
SCHEMBL10393488 0.79 CYP1A2 (0.53) ENPP2FUT8MEN1HTTKMT2A
SCHEMBL10648993 0.79 CYP1A2 (0.53) ENPP2FUT8MEN1HTTKMT2A
SCHEMBL17148649 0.78 ENPP2 (0.48) ENPP2MEN1HTTKMT2ACYP1A2
SCHEMBL13763489 0.78 ENPP2 (0.51) ENPP2MEN1HTTKMT2ACYP1A2
SCHEMBL18801973 0.78 FUT8 (0.48) ENPP2FUT8MEN1HTTKMT2A
SCHEMBL15671895 0.77 THRB (0.55) ENPP2MEN1HTTKMT2ACYP1A2
SCHEMBL10393483 0.77 PRMT1 (0.55) ENPP2FUT8MEN1HTTKMT2A

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-20070124875-A1 Mixtures of reactive dyes and their use HUNTSMAN INTERNATIONAL LLC 2007-06-07 — — US disclosed
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