SCHEMBL9161561

SCHEMBL9161561

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.49
TDP1 Q9NUW8 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FYN P06241 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
S1PR1 P21453 1/20 0.42
PPP1CA P62136 1/20 0.42
MAP4K1 Q92918 1/20 0.42
DYRK1A Q13627 2/20 0.41

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
SCHEMBL9158045 0.90 PDE4B (0.50) PDE4BNPSR1FYNKMT2AMEN1
SCHEMBL9586377 0.89 PDE4B (0.49) PDE4BNPSR1FYNKMT2AMEN1
SCHEMBL9159427 0.81 PDE4B (0.49) PDE4BTDP1NPSR1KDM4EHPGD
SCHEMBL9165018 0.79 PDE4B (0.40) PDE4BNPSR1KMT2AMEN1MAPT
SCHEMBL7014985 0.75 KMT2A (0.71) TDP1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL9159458 0.74 PDGFRB (0.43) PDE4BNPSR1KMT2AMEN1MAPT
SCHEMBL9162880 0.72 HSP90AA1 (0.45) PDE4BNPSR1NPC1HPGDRAB9A
SCHEMBL9157094 0.72 MAPT (0.43) PDE4BNPSR1KMT2AMEN1MAPT
SCHEMBL10446488 0.72 ALOX5AP (0.42) NPSR1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL9162981 0.72 PDE4B (0.43) PDE4BKMT2AALDH1A1CYP1A2CYP2C9

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 9 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
EP-0354766-A2 5-substituted-2,4-diphenyl-pyrimidine derivatives, their production and herbicidal use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-02-14 EP 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