SCHEMBL8299666

SCHEMBL8299666

CCOC(=N)c1c(F)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
DGAT1 O75907 1/20 0.40
RAB9A P51151 3/20 0.39
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5203516 0.88 ALDH1A1 (0.43) SMN1; SMN2KDM4EALDH1A1DGAT1RAB9A
SCHEMBL10070110 0.79 CES2 (0.46) NLRP3CA12CA1CA2CA7
SCHEMBL5395342 0.78 KDM4E (0.49) SMN1; SMN2CES2CES1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1652876 0.78 CES2 (0.44) NLRP3SMN1; SMN2CES2CES1KDM4E
Hydrochloric Acid SCHEMBL5378736 0.77 KDM4E (0.48) SMN1; SMN2CES2CES1KDM4EALDH1A1
SCHEMBL5500889 0.77 LMNA (0.54) SMN1; SMN2CES2CES1ALDH1A1DGAT1
SCHEMBL8597809 0.77 CES2 (0.44) CA12CA1CA2CA7CA9
SCHEMBL1996045 0.76 CA12 (0.66) NLRP3CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL1811818 0.76 LMNA (0.52) SMN1; SMN2CES2CES1ALDH1A1DGAT1
SCHEMBL3071664 0.74 DGAT1 (0.36) SMN1; SMN2ALDH1A1DGAT1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648752-B1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-10-06 EP disclosed
US-5700824-A Triazole derivatives, insecticide, acaricide and methods thereof KUMIAI CHEMICAL INDUSTRIAL CO. LTD. (JP) 1997-12-23 US disclosed
US-5616594-A Triazole derivatives, insecticide, acaricide and methods thereof IHARA CHEMICAL INDUSTRY CO. LTD. (JP) 1997-04-01 US disclosed
EP-0609459-B1 TRIAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, PEST CONTROL AGENT, AND PEST CONTROL METHOD KUMIAI CHEMICAL INDUSTRY CO (JP) 1996-10-09 EP disclosed
US-5482951-A Triazole derivatives as well as insecticide and acaricide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-01-09 US disclosed
US-5466705-A INSECTICIDES, MITICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-11-14 US disclosed
EP-0648752-A1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed
EP-0609459-A1 TRIAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, PEST CONTROL AGENT, AND PEST CONTROL METHOD KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-08-10 EP disclosed
US-4871757-A PESTICIDES HOFFMANN-LA ROCHE INC. (US) 1989-10-03 US disclosed
US-4559353-A Insecticidally active 2,6-disubstituted benzimidate derivatives IMPERIAL CHEMICAL INDUSTRIES PLC 1985-12-17 US disclosed
EP-0109211-A1 Pyridine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-05-23 EP disclosed
EP-0005944-B1 SUBSTITUTED BENZOYLIMIDATES, THEIR PREPARATION AND COMPOSITIONS COMPRISING THEM FOR INSECTICIDAL USE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-03-16 EP disclosed
US-4200653-A Insecticidal compound and method of use IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-04-29 US disclosed
WO-1980000023-A1 SUBSTITUTED BENZOYLIMIDATES,THEIR PREPARATION AND COMPOSITIONS COMPRISING THEM FOR INSECTICIDAL USE ICI LTD (GB) 1980-01-10 WO disclosed
EP-0005944-A1 Substituted benzoylimidates, their preparation and compositions comprising them for insecticidal use IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-12-12 EP disclosed