SCHEMBL17278440

SCHEMBL17278440

Cc1cc(-c2ccc(N=Nc3c([SH](=O)=O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1N=Nc1c([SH](=O)=O)cc2cc([SH](=O)=O)cc(N)c2c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ HTT P42858 1/20 0.70
▸ PHLPP2 Q6ZVD8 2/20 0.60
▸ PTPN1 P18031 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ ATM Q13315 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ ENPP2 Q13822 6/20 0.54
▸ SUMO2 P61956 2/20 0.46
▸ SUMO1 P63165 2/20 0.46
▸ SENP7 Q9BQF6 2/20 0.46
▸ SENP2 Q9HC62 2/20 0.46
▸ SENP3 Q9H4L4 1/20 0.46
▸ SENP1 Q9P0U3 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ THRB P10828 2/20 0.45

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
SCHEMBL16601920 0.96 MEN1 (0.78) MEN1KMT2AHTTPHLPP2PTPN1
SCHEMBL18784959 0.91 MEN1 (0.85) MEN1KMT2AHTTPHLPP2PTPN1
SCHEMBL14664307 0.88 MEN1 (0.79) MEN1KMT2AHTTPHLPP2PTPN1
SCHEMBL16601542 0.84 MEN1 (0.73) MEN1KMT2AHTTPHLPP2PTPN1
Trypan Blue Free Acid SCHEMBL29415031 0.83 MEN1 (1.00) MEN1KMT2AHTTPHLPP2PTPN1
Trypan Blue Free Acid SCHEMBL12234090 0.83 MEN1 (1.00) MEN1KMT2AHTTPHLPP2PTPN1
Trypan Blue Free Acid SCHEMBL29376676 0.83 MEN1 (1.00) MEN1KMT2AHTTPHLPP2PTPN1
Trypan Blue Free Acid SCHEMBL15497820 0.83 MEN1 (1.00) MEN1KMT2AHTTPHLPP2PTPN1
Trypan Blue Free Acid SCHEMBL29355441 0.83 MEN1 (1.00) MEN1KMT2AHTTPHLPP2PTPN1
SCHEMBL15397120 0.82 MEN1 (0.64) MEN1KMT2AHTTPHLPP2PTPN1

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-20150338417-A1 BINDING DOMAIN MAPPING GEORGE MASON UNIVERSITY 2015-11-26 — — US disclosed
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