SCHEMBL8098973

SCHEMBL8098973

COC(=O)c1cccc(C2NC(=O)CS2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.54
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.42
GAA P10253 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GSK3B P49841 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PARP1 P09874 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
SCHEMBL27293941 0.82 CA12 (0.49) GFERALDH1A1LMNAL3MBTL1POLB
SCHEMBL27284110 0.81 GFER (0.47) GFERALDH1A1LMNAL3MBTL1POLB
SCHEMBL8090376 0.76 ALDH1A1 (0.43) ALDH1A1LMNAL3MBTL1POLBGAA
SCHEMBL8089988 0.75 MAPT (0.45) ALDH1A1LMNAL3MBTL1POLBGAA
SCHEMBL4406081 0.75 LOXL2 (0.46) ALDH1A1L3MBTL1POLBGAALOXL2
SCHEMBL3832491 0.74 ALDH1A1 (0.73) ALDH1A1L3MBTL1POLBKDM4ETDP1
SCHEMBL3832488 0.74 ALDH1A1 (0.73) ALDH1A1L3MBTL1POLBKDM4ETDP1
SCHEMBL27327082 0.73 GFER (0.60) GFERALDH1A1LMNAL3MBTL1POLB
SCHEMBL8103930 0.72 GFER (0.52) GFERALDH1A1L3MBTL1POLBGAA
SCHEMBL3933287 0.72 KMO (0.54) ALDH1A1POLBGAALOXL2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
CN-1039492-C Herbicides ZENECA LTD (GB) 1998-08-12 CN disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
CN-1095066-A Weedicide ZENECA LTD (GB) 1994-11-16 CN disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed