SCHEMBL9038752

SCHEMBL9038752

COc1ccc(C(=O)O)c(SCc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
CYP2C9 P11712 1/20 0.56
TDP1 Q9NUW8 2/20 0.51
POLB P06746 2/20 0.51
PPARG P37231 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM6B O15054 1/20 0.42
KDM4A O75164 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
HIF1AN Q9NWT6 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL30928511 0.78 L3MBTL1 (0.41) ALDH1A1CYP2C9TDP1POLBPPARG
SCHEMBL20476789 0.76 MEN1 (0.58) ALDH1A1MEN1KMT2ARAB9AMAPK1
SCHEMBL9710155 0.75 ALDH1A1 (0.56) ALDH1A1CYP2C9PPARGL3MBTL1PKM
SCHEMBL9364180 0.75 PKM (0.44) ALDH1A1CYP2C9TDP1PPARGL3MBTL1
SCHEMBL3594763 0.72 ALDH1A1 (1.00) ALDH1A1CYP2C9POLBL3MBTL1PKM
Hydrochloric Acid SCHEMBL10517128 0.71 ALDH1A1 (0.97) ALDH1A1CYP2C9POLBL3MBTL1PKM
SCHEMBL31481967 0.71 ALDH1A1 (0.57) ALDH1A1CYP2C9TDP1PPARGL3MBTL1
SCHEMBL9364221 0.70 ALDH1A1 (0.47) ALDH1A1CYP2C9TDP1PPARGL3MBTL1
SCHEMBL9367035 0.70 PPARG (0.45) ALDH1A1CYP2C9TDP1PPARGL3MBTL1
SCHEMBL10464790 0.70 L3MBTL1 (0.51) ALDH1A1CYP2C9TDP1PPARGL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273610-B1 Herbicidal pyridinesulfonylureas DU PONT (US) 1996-09-11 EP disclosed
US-5512535-A PRE- AND POSTEMERGENCE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-04-30 US disclosed
US-5393733-A Herbicidal pyridinesulfonylureas E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-02-28 US disclosed
US-5209770-A Containing pyrimidine ring E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-11 US disclosed
US-5102444-A Herbicidal pyridinesulfonylureas E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-07 US disclosed
EP-0334896-A1 HERBICIDAL PYRIDINESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-04 EP disclosed
WO-1989001937-A1 HERBICIDAL PYRIDINESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-09 WO disclosed
US-4808721-A Herbicidal pyridinesulfonylureas E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-28 US disclosed
EP-0273610-A1 Herbicidal pyridinesulfonylureas E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-07-06 EP disclosed
WO-1988004297-A1 HERBICIDAL PYRIDINESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-06-16 WO disclosed