SCHEMBL7479118

SCHEMBL7479118

Cc1c(OC(=O)O)ccc2c1OCCS2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPK1 P28482 1/20 0.35
CTNNB1 P35222 2/20 0.33
WNT3A P56704 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
SLC6A4 P31645 1/20 0.31
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL7470328 0.84 TYMS (0.37) KDM4EHSD17B10MAPK1CTNNB1WNT3A
SCHEMBL8139463 0.78 HSD17B10 (0.38) KDM4EHSD17B10MAPK1CTNNB1WNT3A
SCHEMBL6977102 0.76 MCL1 (0.31)
SCHEMBL7474688 0.70 KDM4E (0.35) KDM4EHSD17B10ALDH1A1LMNA
SCHEMBL6976582 0.66
SCHEMBL6610449 0.64 KDM4E (0.34) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL28061093 0.63 MAPT (0.44) KDM4EHSD17B10MAPK1ALDH1A1LMNA
SCHEMBL983662 0.63 PTPN1 (0.45) KDM4EHSD17B10MAPK1ALDH1A1LMNA
SCHEMBL8506139 0.63 ADRA2A (0.33) HSD17B10MAPK1CTNNB1WNT3ALMNA
SCHEMBL7813372 0.63 KDM4E (0.38) KDM4EALDH1A1HPGDHTT

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-0888334-B1 2-HETAROYLCYCLOHEXANE-1,3-DIONES BASF AG (DE) 2002-07-31 EP disclosed
EP-0888343-B1 PYRAZOLE-4-YL-HETAROYL DERIVATIVES AS HERBICIDES BASF AG (DE) 2002-06-05 EP disclosed
EP-0888343-A1 PYRAZOLE-4-YL-HETAROYL DERIVATIVES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
EP-0888334-A1 2-HETAROYLCYCLOHEXANE-1,3-DIONES BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
WO-1997030986-A1 2-HETAROYLCYCLOHEXANE-1,3-DIONES BASF AKTIENGESELLSCHAFT (DE) 1997-08-28 WO disclosed
WO-1997030993-A1 PYRAZOLE-4-YL-HETAROYL DERIVATIVES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-08-28 WO disclosed