SCHEMBL8309958

SCHEMBL8309958

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.34
PSMB5 P28074 2/20 0.33
SORT1 Q99523 1/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNA3 P22001 1/20 0.32
TRPA1 O75762 1/20 0.32
CTSL P07711 1/20 0.32
GFER P55789 1/20 0.32
ALDH1A1 P00352 3/20 0.32
THRB P10828 1/20 0.32
KDM4E B2RXH2 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
MAPT P10636 1/20 0.32

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 0.75 ALDH1A1 (0.40) TSHRGAAKMT2ASORT1HPGD
SCHEMBL8307823 0.75 ALDH1A1 (0.37) HSD17B10HTTTSHRKMT2ASORT1
SCHEMBL11870867 0.74 CTSL (0.53) GAAHPGDCTSLALDH1A1FLT1
SCHEMBL8391653 0.74 ABL1 (0.41) HTTTSHRGAAKMT2AHPGD
SCHEMBL8309953 0.72 POLB (0.42) HSD17B10HTTTSHRKMT2AHPGD
SCHEMBL8306835 0.72 HSD17B10 (0.39) HSD17B10HTTTSHRKMT2AHPGD
SCHEMBL25787685 0.68 CLCN2 (0.33)
SCHEMBL8389398 0.65 SORT1 (0.42) TSHRGAAKMT2ASORT1HPGD
SCHEMBL31079835 0.63 KCNA3 (0.44) GAAHPGDSMN1; SMN2KCNA3TRPA1
SCHEMBL8390748 0.62 ALDH1A1 (0.34) HSD17B10HTTTSHRKMT2AHPGD

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