SCHEMBL9158045

SCHEMBL9158045

COc1cnc(-c2ccc(F)cc2)nc1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.50
FYN P06241 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
S1PR1 P21453 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DYRK1A Q13627 2/20 0.41
CTSA P10619 1/20 0.41
PDGFRB P09619 3/20 0.41
PDGFRA P16234 3/20 0.41
KCNH2 Q12809 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
IGF1R P08069 1/20 0.39
GRM5 P41594 1/20 0.39
NAMPT P43490 1/20 0.39
KIT P10721 1/20 0.39

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
SCHEMBL9161561 0.90 PDE4B (0.49) PDE4BFYNALDH1A1CYP1A2CYP2C9
SCHEMBL9586377 0.90 PDE4B (0.49) PDE4BFYNALDH1A1CYP1A2CYP2C9
SCHEMBL9165018 0.88 PDE4B (0.40) PDE4BALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9159458 0.84 PDGFRB (0.43) PDE4BALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9159427 0.84 PDE4B (0.49) PDE4BFYNALDH1A1KMT2AMEN1
SCHEMBL9162880 0.82 HSP90AA1 (0.45) PDE4BALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9157094 0.82 MAPT (0.43) PDE4BALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9162981 0.81 PDE4B (0.43) PDE4BALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9160925 0.81 HSD17B1 (0.45) FYNALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL14983665 0.70 KCNH2 (0.47) S1PR1DYRK1AKCNH2SCN10AGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354766-B1 5-substituted-2,4-diphenyl-pyrimidine derivatives, their production and herbicidal use SUMITOMO CHEMICAL CO (JP) 1993-11-03 EP claimed
US-5190575-A 5-Methoxy- or -ethoxy, herbicides SUMITOMO CHEMICAL CO., LTD. (JP) 1993-03-02 US claimed
US-5403948-A Treatment of 1-alkoxycarbonylthio-1-(trihaloalkylbenzoyl)-2-(n,n-dimethylamino)ethene with methyl iodide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-04-04 US disclosed
US-5349108-A Chemical intermediates for nonphytotoxic herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-09-20 US disclosed
US-5270467-A 5-substituted-2,4-diphenylpyrimidine derivatives SUMITOMO CHEMICAL CO., LTD. (JP) 1993-12-14 US disclosed
EP-0354766-B1 5-substituted-2,4-diphenyl-pyrimidine derivatives, their production and herbicidal use SUMITOMO CHEMICAL CO (JP) 1993-11-03 EP disclosed
US-5190575-A 5-Methoxy- or -ethoxy, herbicides SUMITOMO CHEMICAL CO., LTD. (JP) 1993-03-02 US disclosed
EP-0354766-A2 5-substituted-2,4-diphenyl-pyrimidine derivatives, their production and herbicidal use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-02-14 EP disclosed