SCHEMBL23717252

SCHEMBL23717252

CO/C=C(\C)Cc1cc(-c2ccccc2F)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.39
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
BDKRB1 P46663 4/20 0.37
SCN8A Q9UQD0 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPRC P08575 1/20 0.35
PTPN1 P18031 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
HTR2C P28335 1/20 0.35
PDK2 Q15119 1/20 0.34
CASR P41180 1/20 0.34
CTSA P10619 1/20 0.34
DHODH Q02127 1/20 0.33
KLKB1 P03952 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL23717250 0.84 ALDH1A1 (0.38) ERN1TNKSTNKS2BDKRB1ALDH1A1
SCHEMBL30168590 0.84 ALDH1A1 (0.38) ERN1TNKSTNKS2BDKRB1ALDH1A1
SCHEMBL23706383 0.83 ACMSD (0.40) ERN1TNKSTNKS2BDKRB1ALDH1A1
SCHEMBL23717629 0.76 ERN1 (0.43) ERN1TNKSTNKS2SCN8AALDH1A1
SCHEMBL30168597 0.71 ERN1 (0.41) ERN1TNKSTNKS2ALDH1A1MAPT
SCHEMBL23717628 0.71 ERN1 (0.41) ERN1TNKSTNKS2ALDH1A1MAPT
SCHEMBL21916362 0.70 TNKS (0.46) TNKSTNKS2SCN8AALDH1A1MAPT
SCHEMBL23732021 0.70 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1
SCHEMBL23717591 0.69 ERN1 (0.41) ERN1TNKSTNKS2ALDH1A1MAPT
SCHEMBL23706396 0.69 ERN1 (0.42) ERN1TNKSTNKS2PTPRCPTPN1

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