SCHEMBL9339169

SCHEMBL9339169

NS(=O)(=O)CCCCCC(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.59
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
HDAC6 Q9UBN7 3/20 0.51
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51

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
SCHEMBL11300545 0.88 KMT2A (0.61) KMT2AMEN1ALDH1A1POLBCA1
SCHEMBL27291385 0.86 ALDH1A1 (0.77) ALDH1A1POLBHDAC6HDAC8HDAC3
SCHEMBL14254926 0.85 HDAC6 (0.69) KMT2AMEN1HDAC6HDAC8HDAC3
SCHEMBL1833186 0.85 HDAC6 (0.69) KMT2AMEN1HDAC6HDAC8HDAC3
SCHEMBL11668868 0.80 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1POLBHDAC6
SCHEMBL10598594 0.78 POLB (0.66) ALDH1A1POLBCA1CA2
SCHEMBL27534025 0.78 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1POLBHDAC6
SCHEMBL1796314 0.78 POLB (0.93) KMT2AMEN1ALDH1A1POLBHDAC6
SCHEMBL8610620 0.77 ALDH1A1 (0.64) ALDH1A1POLBHDAC6HDAC8HDAC3
SCHEMBL14645424 0.76 ALDH1A1 (0.68) ALDH1A1POLBCA1CA2CA12

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-0467621-B1 N-phenyl-N'-alkylsulfonylureas, process for their preparation and antitumor compositions containing them LILLY CO ELI (US) 1994-06-15 EP claimed
EP-0467621-A1 N-phenyl-N'-alkylsulfonylureas, process for their preparation and antitumor compositions containing them ELI LILLY AND COMPANY (US) 1992-01-22 EP claimed