SCHEMBL11628678

SCHEMBL11628678

Nc1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.53
MEN1 O00255 7/20 0.53
HPGD P15428 6/20 0.53
ALDH1A1 P00352 5/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GSK3B P49841 1/20 0.49
F2 P00734 3/20 0.47
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
MAPT P10636 1/20 0.44
LMNA P02545 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
SCHEMBL11134429 0.87 KMT2A (0.59) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL6749821 0.82 KMT2A (0.53) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL19834321 0.80 GAA (0.54) KMT2AMEN1ALDH1A1F2CA1
SCHEMBL1200246 0.79 HPGD (0.63) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL3154729 0.78 ALDH1A1 (0.55) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL11543322 0.78 KMT2A (0.59) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL9195631 0.77 KMT2A (0.63) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL999377 0.77 KMT2A (0.68) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL8014864 0.77 KMT2A (0.68) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL3808442 0.76 CA9 (0.56) KMT2AMEN1HPGDALDH1A1POLB

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-4069325-A 3-Carbalkoxyamino-1H-2,1,4-benzothiadiazine derivatives HOECHST AKTIENGESELLSCHAFT (DT) 1978-01-17 US disclosed