SCHEMBL9814932

SCHEMBL9814932

CCOc1ccc(C(=O)OC)c(S(=O)(=O)NC(=O)Nc2nc(OC)nc(OC)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 2/20 0.46
CDK1 P06493 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 3/20 0.41
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL10532270 0.85 POLB (0.43) ALDH1A1KDM4ENPC1MAPTCDK1
SCHEMBL10853805 0.84 CDK1 (0.43) ALDH1A1KDM4ENPC1MAPTCDK1
SCHEMBL11372353 0.84 CDK1 (0.46) ALDH1A1KDM4ENPC1MAPTCDK1
SCHEMBL9835685 0.83 GAA (0.48) ALDH1A1KDM4ENPC1MAPTCDK1
SCHEMBL9244901 0.81 MAPT (0.41) ALDH1A1KDM4ENPC1MAPTCDK1
SCHEMBL7023958 0.80 NPC1 (0.50) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL11039031 0.79 MAPT (0.36) ALDH1A1KDM4ENPC1MAPTCDK1
SCHEMBL8011325 0.79 CDK1 (0.43) ALDH1A1KDM4ENPC1MAPTCDK1
SCHEMBL11380190 0.78 CDK1 (0.43) ALDH1A1KDM4ENPC1MAPTCDK1
SCHEMBL11184973 0.78 ALDH1A1 (0.52) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0162723-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-29 EP disclosed
US-4981509-A Plant growth regulators E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-01 US disclosed
US-4871847-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-03 US disclosed
US-4849010-A Herbicidal sulfonamides E. I. DUPONT DE NEMOURS AND COMPANY (US) 1989-07-18 US disclosed
US-4724039-A RICE CROP E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-02-09 US disclosed
US-4710221-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-12-01 US disclosed
EP-0162723-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-11-27 EP disclosed