SCHEMBL27558462

SCHEMBL27558462

O=[N+]([O-])c1cccc(S(=O)(=O)O)c1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CA12 O43570 1/20 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
GPR35 Q9HC97 2/20 0.44
F2 P00734 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
CYP19A1 P11511 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
DDX3X O00571 1/20 0.41
THRB P10828 1/20 0.40
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL14991414 0.88 KMT2A (0.50) KMT2AMEN1CA12CA1CA2
SCHEMBL14991413 0.88 KMT2A (0.50) KMT2AMEN1CA12CA1CA2
SCHEMBL28747128 0.85 KMT2A (0.47) KMT2AMEN1CA12CA1CA2
SCHEMBL19126862 0.85 KMT2A (0.47) KMT2AMEN1CA12CA1CA2
SCHEMBL19127564 0.83 KMT2A (0.45) KMT2AMEN1CA12CA1CA2
SCHEMBL514833 0.82 GPR35 (0.58) KMT2AMEN1GPR35TDP1ALDH1A1
SCHEMBL28046024 0.81 KMT2A (0.48) KMT2AMEN1CA12CA1CA2
SCHEMBL1053327 0.81 KMT2A (0.44) KMT2AMEN1CA12CA1CA2
SCHEMBL1057139 0.80 KMT2A (0.49) KMT2AMEN1CA12CA1CA2
SCHEMBL1057141 0.80 KMT2A (0.49) KMT2AMEN1CA12CA1CA2

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
CN-1297430-A Photosensitive compound and photosensitive composition SANYO CHEMICAL IND LTD (JP) 2001-05-30 CN disclosed