SCHEMBL7330470

SCHEMBL7330470

CN(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
C1R P00736 1/20 0.47
NR1I2 O75469 1/20 0.47
HTT P42858 2/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8545063 0.90 KMT2A (0.51) KMT2AMEN1CA12CA9CA1
SCHEMBL7325171 0.90 KMT2A (0.51) KMT2AMEN1CA12CA9CA1
SCHEMBL7337429 0.90 KMT2A (0.54) KMT2AMEN1CA12CA9CA1
SCHEMBL894793 0.88 KMT2A (0.57) KMT2AMEN1CA12CA9CA2
SCHEMBL7324146 0.88 KMT2A (0.55) KMT2AMEN1CA12CA9L3MBTL1
SCHEMBL7335133 0.88 CA12 (0.57) KMT2AMEN1CA12CA9CA1
SCHEMBL2520150 0.84 MEN1 (0.66) KMT2AMEN1CA12CA9CA1
SCHEMBL6534914 0.82 KMT2A (0.57) KMT2AMEN1CA12CA9CA1
SCHEMBL14563782 0.79 KMT2A (0.59) KMT2AMEN1CA12CA9NR1I2
SCHEMBL7330183 0.79 CA12 (0.50) KMT2AMEN1CA12CA9ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed
EP-0687253-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME Roche Diagnostics GmbH (DE) 1995-12-20 EP disclosed
WO-1994020467-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1994-09-15 WO disclosed