SCHEMBL17797201

SCHEMBL17797201

COc1c(Br)cc(F)c(-c2cc(NC(C)=O)c(Cl)c(OC(=O)O)n2)c1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
CYP1A2 P05177 1/20 0.32
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
ADORA3 P0DMS8 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
SCHEMBL17797232 0.90 PYGL (0.34) PIK3R1PIK3CACYP1A2HSD17B10ADORA3
SCHEMBL17797257 0.89 PIK3R1 (0.33) PIK3R1PIK3CACYP1A2ADORA3
SCHEMBL3838090 0.87 HSD17B10 (0.34) CYP1A2HSD17B10POLBADORA3
SCHEMBL17797199 0.85 CYP1A2 (0.34) PIK3R1PIK3CACYP1A2ADORA3
SCHEMBL17797245 0.85 ALDH1A1 (0.35) PIK3R1PIK3CACYP1A2
SCHEMBL17797250 0.85 HSD17B10 (0.33) HSD17B10
SCHEMBL17797222 0.85 PYGL (0.35) PIK3R1PIK3CACYP1A2HSD17B10ADORA3
SCHEMBL2470016 0.82 PYGL (0.35) PIK3R1PIK3CACYP1A2HSD17B10POLB
SCHEMBL17797234 0.82 RORC (0.37) CYP1A2HSD17B10ADORA3
SCHEMBL17797196 0.81 ALDH1A1 (0.33) HSD17B10POLB

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-2060566-B1 Poly-substituted aryls DOW AGROSCIENCES LLC (US) 2016-06-08 EP claimed