SCHEMBL6561784

SCHEMBL6561784

COc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)C2CCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
GAA P10253 4/20 0.72
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
SMN1; SMN2 Q16637 6/20 0.56
KEAP1 Q14145 2/20 0.55
LMNA P02545 6/20 0.55
HTT P42858 4/20 0.55
HSD17B10 Q99714 3/20 0.55
KDM4E B2RXH2 2/20 0.55
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54

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
SCHEMBL6561684 0.99 ALDH1A1 (0.71) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL6562107 0.98 ALDH1A1 (0.69) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL6560637 0.95 KMT2A (0.65) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL7957195 0.90 ALDH1A1 (0.58) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL7943813 0.88 ALDH1A1 (0.57) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL7954177 0.85 GAA (0.53) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL7952653 0.83 GAA (0.51) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL7950725 0.83 GAA (0.51) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL8626209 0.81 LMNA (0.72) ALDH1A1GAAKMT2ASMN1; SMN2KEAP1
SCHEMBL12768028 0.80 KEAP1 (0.81) ALDH1A1GAAKMT2ASMN1; SMN2KEAP1

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-0990645-B1 NOVEL SULFONAMIDE DERIVATIVES NIPPON KAYAKU KK (JP) 2004-07-28 EP disclosed
US-6180796-B1 TUBULIN POLYMERIZATION INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-01-30 US disclosed