SCHEMBL9162880

SCHEMBL9162880

COc1cnc(-c2ccc(F)cc2)nc1-c1cccc(OC(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HAVCR2 Q8TDQ0 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
F2 P00734 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
TP53 P04637 2/20 0.39
GAPDH P04406 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 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
SCHEMBL9157094 0.83 MAPT (0.43) HSP90AA1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9159458 0.82 PDGFRB (0.43) HSP90AA1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9158045 0.82 PDE4B (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL9162981 0.82 PDE4B (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19HAVCR2
SCHEMBL9160925 0.82 HSD17B1 (0.45) HSP90AA1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9165018 0.78 PDE4B (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19HAVCR2
SCHEMBL9159427 0.77 PDE4B (0.49) ALDH1A1KMT2AMEN1HPGDPDGFRB
SCHEMBL9161561 0.72 PDE4B (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL27773829 0.71 DYRK1A (0.59) ALDH1A1MAPTLMNAF2GLA
SCHEMBL7037049 0.69 GAPDH (0.52) ALDH1A1MAPTLMNATP53GAPDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0425247-A2 5-Substituted-2,4-diphenylpyrimidine derivatives, their production and herbicidal use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-02 EP 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