SCHEMBL13978613

SCHEMBL13978613

Nc1cc(S(=O)(=O)O)cc2cc(SOOO)c(/N=N/c3ccc(/N=[N+](\[O-])c4ccc(/N=N/c5c(S(=O)(=O)O)cc6cc(SOOO)cc(N)c6c5O)c(O)c4)cc3O)c(O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 9/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PHLPP2 Q6ZVD8 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ PRMT1 Q99873 1/20 0.40
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ DNASE1L3 Q13609 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SUMO2 P61956 1/20 0.36
▸ SUMO1 P63165 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP2 Q9HC62 1/20 0.36
▸ APEX1 P27695 1/20 0.33
▸ CD40 P25942 1/20 0.33

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
SCHEMBL14590438 0.92 MEN1 (0.42) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL13978597 0.90 ENPP2 (0.58) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL14530902 0.87 MEN1 (0.60) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL13846673 0.79 ENPP2 (0.47) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL13498717 0.79 MEN1 (0.69) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL14602382 0.79 ENPP2 (0.44) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL9136906 0.78 MEN1 (0.63) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL14269276 0.78 ENPP2 (0.46) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL13597671 0.77 ENPP2 (0.45) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL14135493 0.77 ENPP2 (0.73) ENPP2MEN1HTTKMT2APHLPP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713311-B2 Liquid direct dye formulations BASF AKTIENGESELLSCHAFT (DE) 2010-05-11 — — US disclosed
US-20080295262-A1 Liquid Direct Dye Formulations BASF SE (DE) 2008-12-04 — — US disclosed
US-7331998-B2 Liquid formulations of direct dyes BASF AKTIENGESELLSCHAFT (DE) 2008-02-19 — — US disclosed
US-7160336-B2 Liquid formulations of direct dyes BASF AKTIENGESELLSCHAFT (DE) 2007-01-09 — — US disclosed
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