SCHEMBL17797231

SCHEMBL17797231

COc1c(C#N)cc(F)c(-c2cc(N)c(Cl)c(OC(=O)O)n2)c1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
KHK P50053 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 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
SCHEMBL2470881 0.91 MAPK8 (0.36) HPGDKDM4EALDH1A1MAPTKHK
SCHEMBL2471013 0.87 TPMT (0.32) KDM4EALDH1A1GAA
SCHEMBL3836857 0.86 HPGD (0.35) HPGDKHKMAPK8MAPK9
SCHEMBL2468291 0.85 ILK (0.30)
SCHEMBL17797245 0.85 ALDH1A1 (0.35) HPGDKDM4EALDH1A1MAPTLMNA
SCHEMBL17797250 0.85 HSD17B10 (0.33) HTT
SCHEMBL3333426 0.83 KHK (0.36) HPGDKDM4EALDH1A1MAPTKHK
SCHEMBL17797241 0.81 TPMT (0.32) KDM4EALDH1A1GAA
SCHEMBL2464658 0.78 KDM4E (0.33) KDM4EALDH1A1MAPK8MAPK9GAA
SCHEMBL2467726 0.78 PDCD1LG2 (0.31) MAPK8MAPK9

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