SCHEMBL11528477

SCHEMBL11528477

Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)CCOP(=O)(O)O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
CASP6 P55212 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 3/20 0.43
PRMT1 Q99873 3/20 0.43
MAPK10 P53779 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6323178 0.86 CA1 (0.48) CA1CA2CA12CA9CASP6
SCHEMBL7084160 0.83 ALDH1A1 (0.54) CA1CA2CA12CA9CASP6
SCHEMBL9320034 0.82 CA1 (0.51) CA1CA2CA12CA9CASP6
SCHEMBL11525372 0.80 CA1 (0.45) CA1CA2CA12CA9MEN1
SCHEMBL9809412 0.79 ALDH1A1 (0.47) CA1CA2CA12CA9ALDH1A1
SCHEMBL24203633 0.78 PRMT1 (0.62) CA1CA2CA12CA9CASP6
SCHEMBL8899784 0.76 GAA (0.46) CA1CA2CA12CA9MEN1
SCHEMBL11419583 0.75 ALDH1A1 (0.59) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL2126663 0.73 MEN1 (0.71) MEN1KMT2AMAPK1LMNAPOLB
SCHEMBL11670052 0.73 ALDH1A1 (0.41) CASP6ALDH1A1LMNA

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-4139527-A FOR LEATHER, CELLULOSE, WOOL, SILK, POLYAMIDES HOECHST AKTIENGESELLSCHAFT (DE) 1979-02-13 US disclosed