SCHEMBL8310451

SCHEMBL8310451

Cc1c(OC(=O)O)ccc2c1SC(=O)C(=O)C2=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PAX8 Q06710 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NCEH1 Q6PIU2 1/20 0.31

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
SCHEMBL7816914 0.77 MEN1 (0.31) MEN1KMT2A
SCHEMBL7813372 0.71 KDM4E (0.38) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL8556242 0.69 GBA1 (0.32)
SCHEMBL7496062 0.67
SCHEMBL8891654 0.66 MAPT (0.36) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL6977102 0.66 MCL1 (0.31)
SCHEMBL983662 0.65 PTPN1 (0.45) TDP2NSD2HSP90AA1PAX8MEN1
SCHEMBL28061093 0.65 MAPT (0.44) MEN1POLBRAB9AKMT2A
SCHEMBL15090819 0.64 BACE1 (0.41) MEN1KMT2A
SCHEMBL1833953 0.64 PPARG (0.40) MEN1POLBKMT2ANCEH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0961774-A1 PYRAZOL-4-YL-BENZOYL DERIVATIVES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-12-08 EP disclosed
EP-0847394-A1 2-CYCLOHEXANE-1,3-DIONE BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1998-06-17 EP disclosed
WO-1997009324-A1 2-CYCLOHEXANE-1,3-DIONE BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-03-13 WO disclosed
WO-1997009327-A1 PYRAZOL-4-YL-BENZOYL DERIVATIVES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-13 WO disclosed