SCHEMBL7102449

SCHEMBL7102449

CCCCOC(=O)Nc1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
RAB9A P51151 11/20 0.51
SMN1; SMN2 Q16637 9/20 0.51
HPGD P15428 5/20 0.51
CYP1A2 P05177 4/20 0.51
CYP2C19 P33261 4/20 0.51
LMNA P02545 1/20 0.51
NPC1 O15118 9/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GAA P10253 4/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
CASP1 P29466 1/20 0.50
NFKB1 P19838 1/20 0.50
STAT1 P42224 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
USP2 O75604 1/20 0.50

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
SCHEMBL8938895 0.94 L3MBTL1 (0.50) L3MBTL1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL27304987 0.91 HDAC3 (0.54) L3MBTL1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL1258833 0.84 GAA (0.55) L3MBTL1RAB9ASMN1; SMN2HPGDLMNA
Alcohol SCHEMBL10947326 0.81 GAA (0.52) L3MBTL1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL4762125 0.77 GAA (0.45) L3MBTL1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL27309318 0.77 GAA (0.56) L3MBTL1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL11199473 0.76 MEN1 (0.50) RAB9ASMN1; SMN2HPGDLMNANPC1
SCHEMBL27641757 0.76 KMT2A (0.45) L3MBTL1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL28829470 0.76 RAB9A (0.50) L3MBTL1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL7564852 0.75 RAB9A (0.79) L3MBTL1RAB9ASMN1; SMN2HPGDCYP1A2

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-0238145-A1 Synergistic herbicidal compositions and methods of use. STAUFFER CHEMICAL COMPANY (US) 1987-09-23 EP claimed
EP-0219143-A1 Synergistic herbicidal compositions and methods of use STAUFFER CHEMICAL COMPANY (US) 1987-04-22 EP claimed
EP-0218271-A1 Synergistic herbicidal compositions and method STAUFFER CHEMICAL COMPANY (US) 1987-04-15 EP claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1309566-A1 DIHYDROXYPYRIMIDINE CARBOXYLIC ACIDS AS VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2003-05-14 EP disclosed
WO-2002006246-A1 DIHYDROXYPYRIMIDINE CARBOXYLIC ACIDS AS VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2002-01-24 WO disclosed
EP-0147683-A2 A method for the control of Galium Aparine STAUFFER CHEMICAL COMPANY (US) 1985-07-10 EP disclosed
US-4231786-A TO CROPS BY THIOLCARBAMATES, SAFENING AGENT MONSANTO COMPANY (US) 1980-11-04 US disclosed