SCHEMBL9788043

SCHEMBL9788043

CN(C)c1ccccc1N=Nc1ccc(S(=O)(=O)O)cc1.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.58
CYP2D6 P10635 1/20 0.58
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
RPS6KA3 P51812 1/20 0.50
ATIC P31939 1/20 0.44
MYC P01106 1/20 0.43
GLO1 Q04760 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
PHLPP2 Q6ZVD8 3/20 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
SCHEMBL6677569 0.98 POLB (0.60) POLBCYP2D6MEN1KMT2AMAPT
SCHEMBL4436535 0.84 MEN1 (0.52) POLBCYP2D6MEN1KMT2AMAPT
SCHEMBL6810312 0.84 MEN1 (0.52) POLBCYP2D6MEN1KMT2AMAPT
SCHEMBL16322731 0.84 MEN1 (0.71) POLBCYP2D6MEN1KMT2AMAPT
SCHEMBL42642 0.84 CA2 (0.62) POLBMEN1KMT2AMAPTMAPK1
SCHEMBL16566766 0.83 POLB (0.55) POLBCYP2D6MEN1KMT2AMAPT
SCHEMBL16566903 0.81 POLB (0.53) POLBCYP2D6MEN1KMT2AMAPT
SCHEMBL5485815 0.80 HTR6 (0.47) POLBCYP2D6MEN1KMT2AMAPT
SCHEMBL5485813 0.80 HTR6 (0.44) POLBMEN1KMT2AMAPTMAPK1
SCHEMBL29747008 0.79 MAPK1 (0.53) POLBCYP2D6MEN1KMT2AMAPT

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-5073171-A Solid polymeric body incorporating an albumin-binding dye to form a protective coating; anticoagulants; antiinflammatory agents EATON JOHN W (US) 1991-12-17 US disclosed