SCHEMBL15044707

SCHEMBL15044707

COc1cc(S(=O)(=O)CCO)c(C)cc1/N=N/c1cc(S(=O)(=O)O)c(N)c(/N=N/c2cc(C)c(S(=O)(=O)CCO)cc2OC)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ THRB P10828 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ RECQL P46063 4/20 0.41
▸ TP53 P04637 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ BLM P54132 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ BRCA1 P38398 2/20 0.41
▸ APEX1 P27695 2/20 0.41
▸ SLC10A1 Q14973 1/20 0.41
▸ BRD4 O60885 2/20 0.41

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
SCHEMBL16170713 0.93 SENP2 (0.49) PTPN1MEN1KMT2ATHRBHPGD
SCHEMBL15044906 0.89 MAPT (0.39) PTPN1MEN1KMT2ATHRBHPGD
SCHEMBL16173871 0.89 MAPT (0.39) PTPN1MEN1KMT2ATHRBHPGD
SCHEMBL16170886 0.86 SENP2 (0.50) PTPN1MEN1KMT2ATHRBHPGD
SCHEMBL16170822 0.81 SENP2 (0.48) MEN1KMT2ATHRBHPGDRECQL
SCHEMBL16173873 0.81 MAPT (0.41) MEN1KMT2ATHRBHPGDRECQL
SCHEMBL15044759 0.81 MAPT (0.41) MEN1KMT2ATHRBHPGDRECQL
SCHEMBL16170712 0.78 SENP2 (0.41) MEN1KMT2ATHRBHPGDRECQL
SCHEMBL15044700 0.77 PHLPP2 (0.47) MEN1KMT2ATHRBHPGDRECQL
SCHEMBL15044920 0.76 MAPT (0.38) MEN1KMT2ATHRBHPGDRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8961621-B2 Azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2015-02-24 — — US disclosed
US-20140304926-A1 Azo Dyes HUNTSMAN INTERNATIONAL LLC 2014-10-16 — — US disclosed
WO-2013087400-A2 AZO DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2013-06-20 — — WO disclosed
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