SCHEMBL23717591

SCHEMBL23717591

CO/C=C(\C)Oc1cc(-c2ccccc2F)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.41
PTPRC P08575 1/20 0.35
PTPN1 P18031 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HTR2C P28335 1/20 0.35
PDK2 Q15119 1/20 0.34
PTGS2 P35354 2/20 0.33
RORC P51449 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
IDO1 P14902 1/20 0.33
CHEK1 O14757 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PSEN1 P49768 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
SCHEMBL23717629 0.87 ERN1 (0.43) ERN1PTPRCPTPN1ACMSDTNKS
SCHEMBL23706401 0.83 ERN1 (0.41) ERN1PTPRCPTPN1ACMSDPDK2
SCHEMBL30168601 0.82 ERN1 (0.40) ERN1PTPRCPTPN1ACMSDRORC
SCHEMBL23717590 0.82 ERN1 (0.40) ERN1PTPRCPTPN1ACMSDRORC
SCHEMBL23706396 0.72 ERN1 (0.42) ERN1PTPRCPTPN1ACMSDTNKS
SCHEMBL30168597 0.71 ERN1 (0.41) ERN1PTPRCPTPN1ACMSDTNKS
SCHEMBL23717628 0.71 ERN1 (0.41) ERN1PTPRCPTPN1ACMSDTNKS
SCHEMBL27805357 0.70 PTGS2 (0.58) ERN1PTPRCPTPN1HTR2CPTGS2
SCHEMBL23717252 0.69 ERN1 (0.39) ERN1PTPRCPTPN1ACMSDTNKS
SCHEMBL31067169 0.69 PTPRC (0.52) PTPRCPTPN1ACMSDTNKSTNKS2

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-2021153759-A1 PLANT DISEASE CONTROL COMPOSITION AND PLANT DISEASE CONTROL METHOD 住友化学株式会社 2021-08-05 WO disclosed