SCHEMBL9744302

SCHEMBL9744302

Nc1ccc(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.66
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
MAPK1 P28482 2/20 0.66
NT5E P21589 1/20 0.66
TDP1 Q9NUW8 4/20 0.53
GFER P55789 2/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
ATM Q13315 1/20 0.53
RAPGEF4 Q8WZA2 1/20 0.51
TBXA2R P21731 4/20 0.49
ALDH1A1 P00352 4/20 0.46
POLB P06746 4/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RECQL P46063 1/20 0.44
CASP6 P55212 1/20 0.44
ELAVL1 Q15717 1/20 0.44

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
SCHEMBL2032113 0.88 NT5E (0.85) MAPTMEN1KMT2AMAPK1NT5E
SCHEMBL10765820 0.85 NT5E (0.55) MAPTMEN1KMT2AMAPK1NT5E
SCHEMBL10758831 0.84 NT5E (0.51) MAPTMEN1KMT2AMAPK1NT5E
SCHEMBL10760475 0.84 NT5E (0.57) MAPTMEN1KMT2AMAPK1NT5E
SCHEMBL10761714 0.83 CYP3A4 (0.55) MAPTMEN1KMT2AMAPK1NT5E
SCHEMBL10762587 0.83 NT5E (0.50) MAPTMEN1KMT2AMAPK1NT5E
SCHEMBL9878142 0.82 NT5E (0.61) MAPTMEN1KMT2AMAPK1NT5E
SCHEMBL9744729 0.82 NT5E (0.61) MAPTMEN1KMT2AMAPK1NT5E
SCHEMBL19262229 0.81 NT5E (0.48) MAPTMEN1KMT2AMAPK1NT5E
SCHEMBL10764748 0.80 TDP1 (0.58) MAPTMEN1KMT2AMAPK1NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212412-B1 POLYAZO DYES BAYER AG (DE) 1992-12-30 EP disclosed
EP-0212412-A2 Polyazo dyes BAYER AG (DE) 1987-03-04 EP disclosed