SCHEMBL8810201

SCHEMBL8810201

CCOC(=N)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.49
ELANE P08246 2/20 0.44
F2 P00734 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
DDR1 Q08345 2/20 0.41
KAT6A Q92794 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
POLB P06746 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
BRAF P15056 1/20 0.40
DGAT1 O75907 1/20 0.40
S1PR1 P21453 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
Hydrochloric Acid SCHEMBL8552872 0.98 F10 (0.48) F10ELANEF2TAS1R3TAS1R1
SCHEMBL5456700 0.84 ELANE (0.52) F10ELANEF2TAS1R3TAS1R1
SCHEMBL21288059 0.83 F10 (0.47) F10TAS1R3TAS1R1TAS1R2GPR139
SCHEMBL25303754 0.82 POLB (0.50) POLBDGAT1
SCHEMBL3731767 0.80 TP53 (0.50) POLBDGAT1
SCHEMBL17191010 0.80 F10 (0.50) F10TAS1R3TAS1R1TAS1R2GPR139
SCHEMBL5504569 0.80 PRSS1 (0.61) ELANETAS1R3TAS1R1
SCHEMBL13108721 0.79 DGAT1 (0.52) F10F2DGAT1
Hydrochloric Acid SCHEMBL3138169 0.79 PRSS1 (0.50) F2DGAT1
Hydrochloric Acid SCHEMBL2458653 0.79 PRSS1 (0.59) ELANETAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997000612-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-09 WO disclosed