SCHEMBL8960193

SCHEMBL8960193

Cc1c(C(F)(F)F)ncn(-c2ccc(F)cc2F)c1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 3/20 0.42
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CYP17A1 P05093 1/20 0.37
MAPK11 Q15759 2/20 0.37
MAPK14 Q16539 2/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GRM5 P41594 2/20 0.36
LMNA P02545 1/20 0.36
KDM5B Q9UGL1 1/20 0.35
OPRM1 P35372 1/20 0.35
GRM1 Q13255 1/20 0.35
POLB P06746 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34

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
SCHEMBL8960197 0.83 MAPK11 (0.40) HCAR1GLAL3MBTL1ESR1ESR2
SCHEMBL8960198 0.74 GLA (0.46) GLAL3MBTL1MAPK11MAPK14GRM5
SCHEMBL8960285 0.71 ESR1 (0.38) HCAR1ESR1ESR2CYP17A1GRM5
SCHEMBL10027269 0.69 ESR1 (0.46) GLAL3MBTL1ESR1ESR2CYP17A1
SCHEMBL9723046 0.69 GABRB3 (0.39) GABRG2GABRB3GABRA5KDM5B
SCHEMBL9412140 0.68 GRM5 (0.42) HCAR1GLAL3MBTL1ESR1ESR2
SCHEMBL8960030 0.68 ALDH1A1 (0.43) HCAR1L3MBTL1ESR1ESR2LMNA
SCHEMBL9581673 0.68 GAA (0.32) ESR2KDM5B
SCHEMBL9592278 0.68 KDM5B (0.32) KDM5B
SCHEMBL10027242 0.67 ESR2 (0.41) HCAR1GLAL3MBTL1ESR1ESR2

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
US-5532208-A HERBICIDES SUMITOMO CHEMICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5366955-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-11-22 US disclosed
EP-0568041-A1 Pyrimidone derivatives and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-03 EP disclosed