SCHEMBL8307823

SCHEMBL8307823

CSc1c(Cl)ccc(C(=O)Cl)c1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
SORT1 Q99523 1/20 0.33
HSD17B10 Q99714 2/20 0.32
KMT2A Q03164 2/20 0.32
NOTUM Q6P988 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
ADRA2A P08913 1/20 0.31
CLCN2 P51788 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
GFER P55789 1/20 0.30
ATM Q13315 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL8391857 0.86 ALDH1A1 (0.40) ALDH1A1HPGDUSP2SORT1KMT2A
SCHEMBL8390748 0.83 ALDH1A1 (0.34) ALDH1A1ALOX15HPGDHSD17B10KMT2A
SCHEMBL8391653 0.81 ABL1 (0.41) ALDH1A1HPGDKMT2ATSHRHTT
SCHEMBL29544731 0.77 HPGD (0.55) ALDH1A1ALOX15HPGDUSP2SORT1
SCHEMBL9860903 0.77 HPGD (0.55) ALDH1A1ALOX15HPGDUSP2SORT1
SCHEMBL9712390 0.76 HPGD (0.42) ALDH1A1ALOX15HPGDUSP2SORT1
SCHEMBL8389398 0.75 SORT1 (0.42) ALDH1A1HPGDUSP2SORT1KMT2A
SCHEMBL7938468 0.75 ALDH1A1 (0.43) ALDH1A1ALOX15HPGDUSP2SORT1
SCHEMBL8309958 0.75 HSD17B10 (0.39) ALDH1A1HPGDSORT1HSD17B10KMT2A
SCHEMBL27367265 0.74 ALDH1A1 (0.47) ALDH1A1ALOX15HPGDUSP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed
EP-0625508-B1 Sulfur-containing derivatives of 2-cyano-1,3-diones and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1998-08-19 EP disclosed
EP-0625508-A2 Sulfur-containing derivatives of 2-cyano-1,3-diones and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-11-23 EP disclosed