SCHEMBL13498718

SCHEMBL13498718

Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(SOOO)cc(SOOO)c(N)c2c1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.74
▸ KMT2A Q03164 5/20 0.74
▸ THRB P10828 5/20 0.74
▸ HPGD P15428 5/20 0.74
▸ RECQL P46063 5/20 0.74
▸ ALDH1A1 P00352 5/20 0.74
▸ CYP3A4 P08684 4/20 0.74
▸ MAPK1 P28482 4/20 0.74
▸ HSD17B10 Q99714 4/20 0.74
▸ KDM4E B2RXH2 3/20 0.74
▸ ALOX15 P16050 3/20 0.74
▸ MAPT P10636 3/20 0.74
▸ BLM P54132 3/20 0.74
▸ TP53 P04637 2/20 0.74
▸ BRCA1 P38398 2/20 0.74
▸ CYP2C9 P11712 2/20 0.74
▸ CYP2C19 P33261 2/20 0.74
▸ TSHR P16473 2/20 0.74
▸ APP P05067 2/20 0.74
▸ SNCA P37840 2/20 0.74

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
SCHEMBL14506103 0.96 MEN1 (0.76) MEN1KMT2ATHRBHPGDRECQL
SCHEMBL12534472 0.90 CYP1A2 (0.62) MEN1KMT2ATHRBHPGDRECQL
SCHEMBL13428188 0.86 CYP1A2 (0.64) MEN1KMT2ATHRBHPGDRECQL
SCHEMBL13330337 0.86 MEN1 (0.79) MEN1KMT2ATHRBHPGDRECQL
Evans Blue Free Acid SCHEMBL16572423 0.86 MEN1 (1.00) MEN1KMT2ATHRBHPGDRECQL
Evans Blue Free Acid SCHEMBL14533441 0.86 MEN1 (1.00) MEN1KMT2ATHRBHPGDRECQL
Evans Blue Free Acid SCHEMBL30337894 0.86 MEN1 (1.00) MEN1KMT2ATHRBHPGDRECQL
Evans Blue Free Acid SCHEMBL29518427 0.86 MEN1 (1.00) MEN1KMT2ATHRBHPGDRECQL
Evans Blue Free Acid SCHEMBL31658969 0.86 MEN1 (1.00) MEN1KMT2ATHRBHPGDRECQL
Evans Blue Free Acid SCHEMBL5859460 0.85 MEN1 (0.98) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041068-A1 DEEPLY QUENCHED ENZYME SENSORS AND BINDING SENSORS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY 2010-02-18 — — US disclosed
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