SCHEMBL8306835

SCHEMBL8306835

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 3/20 0.37
NTRK1 P04629 5/20 0.35
CHRM1 P11229 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CFTR P13569 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PDE10A Q9Y233 1/20 0.33
RORC P51449 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL8309953 0.79 POLB (0.42) HSD17B10KMT2AHTTTSHRHPGD
SCHEMBL8391857 0.74 ALDH1A1 (0.40) KMT2ATSHRHPGDALDH1A1POLB
SCHEMBL8307823 0.74 ALDH1A1 (0.37) HSD17B10KMT2AHTTTSHRHPGD
SCHEMBL8391653 0.73 ABL1 (0.41) KMT2AHTTTSHRHPGDALDH1A1
SCHEMBL8309958 0.72 HSD17B10 (0.39) HSD17B10KMT2AHTTTSHRHPGD
SCHEMBL7455336 0.70 PDE10A (0.43) HTTNTRK1CHRM1CFTRPDE10A
SCHEMBL15652172 0.68 CFTR (0.40) HTTHPGDCHRM1ALDH1A1CFTR
SCHEMBL7455326 0.68 PDE10A (0.41) NTRK1CHRM1CFTRPDE10ANAMPT
SCHEMBL7462789 0.67 CFTR (0.51) NTRK1CHRM1CFTRPDE10ANAMPT
SCHEMBL7462779 0.66 CFTR (0.45) NTRK1CHRM1CFTRPDE10ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed