SCHEMBL7874632

SCHEMBL7874632

COc1ccc(CCC(=O)NCCc2ccc(S(=O)(=O)NC(=O)c3ccc(OC(=O)NCCO)nc3)cc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
POLB P06746 2/20 0.47
GRK2 P25098 1/20 0.47
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 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
SCHEMBL7870511 0.94 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1CA1CA2
SCHEMBL7871641 0.93 CA1 (0.56) ALDH1A1KMT2AMEN1CA1CA2
SCHEMBL7867669 0.90 TSHR (0.57) ALDH1A1KMT2AMEN1CA1CA2
SCHEMBL7862836 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1CA1CA2
SCHEMBL7870454 0.87 ALDH1A1 (0.51) ALDH1A1KMT2ACA1CA2CA7
SCHEMBL7862780 0.86 CA1 (0.56) ALDH1A1KMT2AMEN1CA1CA2
SCHEMBL9517098 0.86 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1CA1CA2
SCHEMBL7867696 0.85 LMNA (0.42) ALDH1A1KMT2AMEN1CA1CA2
SCHEMBL7867837 0.84 NLRP3 (0.51) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL8869792 0.84 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0562512-B1 Sulfonamidocarbonylpyridine-2-carboxamides and their use as medicines HOECHST AG (DE) 2001-02-21 EP disclosed
EP-0562512-A1 Sulfonamido- and sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-29 EP disclosed