SCHEMBL29211682

SCHEMBL29211682

CCOC(=O)C(c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MAPK1 P28482 4/20 0.51
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 2/20 0.48
RAB9A P51151 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45

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
SCHEMBL5040523 0.82 KMT2A (0.54) KMT2AMAPK1ALDH1A1TDP1HPGD
SCHEMBL29299764 0.76 MAPT (0.56) KMT2AALDH1A1HPGDRAB9AMEN1
SCHEMBL29543339 0.74 HPGD (0.47) KMT2AMAPK1ALDH1A1TDP1HPGD
SCHEMBL29542939 0.74 HPGD (0.47) KMT2AMAPK1ALDH1A1TDP1HPGD
SCHEMBL11924538 0.73 ALDH1A1 (0.53) KMT2AMAPK1ALDH1A1TDP1CA12
SCHEMBL26247562 0.73 MAPT (0.61) KMT2AMAPK1ALDH1A1TDP1HPGD
SCHEMBL14307988 0.72 ADAMTS5 (0.67) KMT2AMAPK1ALDH1A1TDP1RAB9A
SCHEMBL7422328 0.72 KMT2A (0.64) KMT2AMAPK1ALDH1A1TDP1HPGD
SCHEMBL12467154 0.72 KMT2A (0.48) KMT2AALDH1A1CA12CA1CA2
SCHEMBL2550123 0.72 MMP8 (0.53) KMT2AALDH1A1TDP1MEN1LMNA

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-117800852-A Synthetic method of natural product salt spike grass alkali 江西师范大学 2024-04-02 CN disclosed