SCHEMBL9814816

SCHEMBL9814816

CCOc1ccc(C(=O)OC)c(SC(=O)N(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
KLKB1 P03952 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL4139136 0.85 MAOB (0.50) ALDH1A1NPC1KMT2AMEN1RAB9A
SCHEMBL10610561 0.80 NR4A2 (0.42) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL4289129 0.79 CA12 (0.38) TDP1KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL2473934 0.79 ABL1 (0.53) TDP1ALDH1A1NPC1KMT2AMEN1
SCHEMBL2468670 0.79 NR4A2 (0.43) KDM4EALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL2962760 0.79 NPC1 (0.43) TDP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL21543853 0.78 TDP1 (0.55) TDP1KDM4EALDH1A1NPC1KMT2A
SCHEMBL9221122 0.76 KDM4E (0.50) KDM4EALDH1A1NPC1KMT2ARAB9A
SCHEMBL2470933 0.75 EGFR (0.48) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3207510 0.75 CA12 (0.64) TDP1KDM4EALDH1A1NPC1KMT2A

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 8 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-4877442-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-31 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