SCHEMBL8032508

SCHEMBL8032508

O=[N+]([O-])c1ccc2nc(Sc3nnnn3-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 7/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
ALPG P10696 1/20 0.47
PKM P14618 2/20 0.46
PDK1 Q15118 1/20 0.44
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL8045879 0.88 ALDH1A1 (0.60) MAPTPOLBTDP1ALDH1A1MEN1
SCHEMBL8051779 0.87 ALDH1A1 (0.47) MAPTPOLBTDP1ALDH1A1MEN1
SCHEMBL8033095 0.87 ALDH1A1 (0.52) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL8043538 0.86 ALDH1A1 (0.52) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL8044622 0.85 CA2 (0.53) MAPTPOLBTDP1ALDH1A1MEN1
SCHEMBL8045309 0.84 ALDH1A1 (0.51) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL8042611 0.82 PDK1 (0.53) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL8044915 0.82 RECQL (0.54) MAPTPOLBTDP1ALDH1A1MEN1
SCHEMBL8033645 0.81 PDK1 (0.51) MAPTPOLBTDP1ALDH1A1MEN1
SCHEMBL8049105 0.80 PDK1 (0.50) MAPTTDP1ALDH1A1MEN1KMT2A

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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed