SCHEMBL15623923

SCHEMBL15623923

COc1nc(C(F)(F)F)cc(C(F)(F)C(F)(F)F)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 5/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
GAA P10253 2/20 0.36
NT5E P21589 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
TP53 P04637 3/20 0.34
HPGD P15428 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 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
SCHEMBL17772772 0.78 HSD17B10 (0.56) HSD17B10KDM4EMAPTLMNAMAPK1
SCHEMBL601281 0.77 HSD17B10 (0.54) HSD17B10KDM4EMAPTLMNAMAPK1
SCHEMBL604379 0.72 HSD17B10 (0.46) HSD17B10KDM4EMAPTLMNAMAPK1
SCHEMBL10223647 0.72 HSD17B10 (0.46) HSD17B10KDM4EMAPTLMNAMAPK1
SCHEMBL30595643 0.67 HSD17B10 (0.47) HSD17B10KDM4EGAA
SCHEMBL13485368 0.67 HSD17B10 (0.47) HSD17B10KDM4EGAA
SCHEMBL15218853 0.66 LMNA (0.45) HSD17B10KDM4ELMNAL3MBTL1GAA
SCHEMBL10271825 0.65 HSP90AA1 (0.52) HSD17B10KDM4EMAPTLMNAMAPK1
SCHEMBL30632868 0.64 HSD17B10 (0.41) HSD17B10MAPTLMNAMAPK1GAA
SCHEMBL1830456 0.63 SDHB (0.49) HSD17B10KDM4EMAPTLMNAMAPK1

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-2398778-B1 AMINOPYRIDINEAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2014-03-26 EP disclosed