SCHEMBL11209685

SCHEMBL11209685

Nc1ccc(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
TDP1 Q9NUW8 3/20 0.67
POLB P06746 2/20 0.67
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
LMNA P02545 4/20 0.62
WNK1 Q9H4A3 1/20 0.59
MAPK1 P28482 2/20 0.59
FFAR4 Q5NUL3 1/20 0.55
ALDH3A1 P30838 3/20 0.55
KEAP1 Q14145 1/20 0.54
PKM P14618 2/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
HCAR3 P49019 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL29363201 0.92 MAPT (0.72) MAPTTDP1POLBKMT2AMEN1
SCHEMBL7115658 0.92 MAPT (0.72) MAPTTDP1POLBKMT2AMEN1
SCHEMBL11515827 0.89 MAPT (0.62) MAPTTDP1POLBKMT2AMEN1
SCHEMBL9906419 0.85 FFAR4 (0.67) MAPTTDP1POLBKMT2AMEN1
SCHEMBL11210563 0.84 ALDH3A1 (0.77) MAPTTDP1POLBKMT2AMEN1
SCHEMBL19041388 0.83 MAPT (0.69) MAPTTDP1POLBKMT2AMEN1
SCHEMBL11694650 0.82 ALDH3A1 (0.60) MAPTTDP1POLBKMT2AMEN1
SCHEMBL10764508 0.82 MAPT (0.77) MAPTTDP1POLBKMT2AMEN1
SCHEMBL11648544 0.81 MAPT (0.60) MAPTTDP1POLBKMT2AMEN1
SCHEMBL31026210 0.81 L3MBTL1 (0.68) MAPTTDP1POLBKMT2AMEN1

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
EP-0019728-B1 UTILISATION OF REACTIVE DYESTUFFS IN DYEING AND PRINTING BLENDED FABRICS POLYESTER/COTTON BAYER AG (DE) 1983-01-12 EP disclosed