SCHEMBL8559982

SCHEMBL8559982

O=C(Cl)Oc1ccc2c(c1)SC(=O)C(=O)C2=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33
KMT2A Q03164 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TYR P14679 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
SCHEMBL8891654 0.86 MAPT (0.36) POLBMEN1MAPTMAPK1CASP3
SCHEMBL7812720 0.73 KMT2A (0.32) MEN1KMT2A
SCHEMBL260978 0.71 KDM4E (0.50) MEN1MAPTMAPK1KMT2A
SCHEMBL8891018 0.71
SCHEMBL10880408 0.70 TTR (0.49) POLBMEN1MAPTMAPK1CASP3
SCHEMBL6564497 0.67 KMT2A (0.48) POLBMEN1MAPTKMT2ANPC1
SCHEMBL3320871 0.67 ALOX15 (0.40) MEN1MAPTKMT2A
SCHEMBL6924446 0.66 RAB9A (0.46) POLBMEN1MAPTKMT2ARAB9A
SCHEMBL9198371 0.65 MAOA (0.34)
SCHEMBL2489203 0.63 KMT2A (0.60) POLBMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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