SCHEMBL8726570

SCHEMBL8726570

CSCc1c(C(=O)CC(=O)C2CC2)ccc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.34
NPC1 O15118 1/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL8524815 0.81 NPC1 (0.35) GPR119NPC1CES2CES1KMT2A
SCHEMBL8724282 0.77 KMT2A (0.33) KMT2AMEN1
SCHEMBL7574482 0.77 HPGD (0.33) KMT2AALDH1A1
SCHEMBL8490848 0.77 NPC1 (0.36) NPC1KMT2AALDH1A1L3MBTL1CASP3
SCHEMBL8754753 0.77 POLB (0.34) GPR119NPC1ALDH1A1
SCHEMBL8729992 0.76 SMN1; SMN2 (0.36) KMT2AMEN1ALDH1A1
SCHEMBL8491100 0.76 L3MBTL1 (0.40) NPC1ALDH1A1L3MBTL1
SCHEMBL8489055 0.75 NPC1 (0.34) GPR119NPC1CES2CES1KMT2A
SCHEMBL8729830 0.75 CES2 (0.42) NPC1CES2CES1KMT2AALDH1A1
SCHEMBL8726663 0.72 HPGD (0.38) KMT2AALDH1A1

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-0625505-B1 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1998-10-28 EP disclosed
EP-0625505-A2 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-11-23 EP disclosed