SCHEMBL8437980

SCHEMBL8437980

CNC(=O)C(=NOC(I)(I)I)c1ccccc1COc1ncc(C(=O)OC)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.37
SCN9A Q15858 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.34
GABRA5 P31644 1/20 0.34
P2RY12 Q9H244 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR3 Q99500 1/20 0.33
SGMS2 Q8NHU3 1/20 0.32
PSMD14 O00487 1/20 0.32

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
SCHEMBL8337626 0.91 HIF1A (0.45) HIF1ASCN9ATDP1MRGPRX4GABRA5
SCHEMBL8337628 0.91 HIF1A (0.45) HIF1ASCN9ATDP1MRGPRX4GABRA5
SCHEMBL8343050 0.83 HIF1A (0.46) HIF1ASCN9AMRGPRX4ALDH1A1
SCHEMBL8343054 0.83 HIF1A (0.46) HIF1ASCN9AMRGPRX4ALDH1A1
SCHEMBL8338519 0.83 HIF1A (0.42) HIF1ASCN9ATDP1P2RY12ALDH1A1
SCHEMBL8338523 0.83 HIF1A (0.42) HIF1ASCN9ATDP1P2RY12ALDH1A1
SCHEMBL8339379 0.83 HIF1A (0.42) HIF1ASCN9ATDP1MRGPRX4P2RY12
SCHEMBL8339378 0.83 HIF1A (0.42) HIF1ASCN9ATDP1MRGPRX4P2RY12
SCHEMBL16705532 0.82 HIF1A (0.48) HIF1ASCN9ATDP1P2RY12ALDH1A1
SCHEMBL7521316 0.82 HIF1A (0.45) HIF1ASCN9AMRGPRX4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0961771-A1 2-METHOXYIMINO-2-(PYRIDINYLOXYMETHYL)PHENYL ACETAMIDES WITH CARBOXYLIC ACID DERIVATIVES ON THE PYRIDINE RING AS FUNGICIDES Dow AgroSciences LLC (US) 1999-12-08 EP disclosed
WO-1998033772-A1 2-METHOXYIMINO-2-(PYRIDINYLOXYMETHYL)PHENYL ACETAMIDES WITH CARBOXYLIC ACID DERIVATIVES ON THE PYRIDINE RING AS FUNGICIDES DOW AGROSCIENCES LLC (US) 1998-08-06 WO disclosed