SCHEMBL8724619

SCHEMBL8724619

CCSCc1c(C(=O)CC(=O)C2CC2)ccc(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
ERCC5 P28715 3/20 0.33
FEN1 P39748 3/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HPGD P15428 5/20 0.33
ALDH1A1 P00352 4/20 0.33
POLB P06746 2/20 0.33
P2RX7 Q99572 1/20 0.33
HTT P42858 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ATM Q13315 1/20 0.32
TP53 P04637 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31
MAPT P10636 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
SCHEMBL8491762 0.78 ERCC5 (0.45) KMT2AERCC5FEN1SLC6A2SLC6A4
SCHEMBL8813179 0.77 SLC6A4 (0.45) KMT2AERCC5FEN1SLC6A2SLC6A4
SCHEMBL6746643 0.76 ERCC5 (0.36) KMT2AERCC5FEN1SLC6A2SLC6A4
SCHEMBL8724282 0.75 KMT2A (0.33) KMT2AHPGDHTTMEN1
SCHEMBL8815650 0.74 MEN1 (0.33) KMT2AERCC5FEN1P2RX7ATM
SCHEMBL8815642 0.73 HDAC1 (0.39) KMT2AALDH1A1HTTMEN1MAPT
SCHEMBL7574482 0.72 HPGD (0.33) KMT2AHPGDALDH1A1POLBP2RX7
SCHEMBL8818588 0.72 HTT (0.31) HTTNPSR1
SCHEMBL8443704 0.72 ERCC5 (0.61) KMT2AERCC5FEN1SLC6A2SLC6A4
SCHEMBL8389663 0.72 SMN1; SMN2 (0.36) KMT2AERCC5FEN1HPGDALDH1A1

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