SCHEMBL17894152

SCHEMBL17894152

COc1ccc(CO[C@@H](C)C(O)c2ccccc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
LTA4H P09960 1/20 0.38
RCE1 Q9Y256 1/20 0.38
GAA P10253 1/20 0.38
AOC3 Q16853 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
CYP3A4 P08684 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL28565121 1.00 L3MBTL1 (0.45) L3MBTL1MEN1KMT2AMAPK1RAB9A
SCHEMBL22474245 0.86 MEN1 (0.43) L3MBTL1MEN1KMT2AMAPK1RAB9A
SCHEMBL17900530 0.86 MEN1 (0.43) L3MBTL1MEN1KMT2AMAPK1RAB9A
SCHEMBL28522124 0.86 MEN1 (0.43) L3MBTL1MEN1KMT2AMAPK1RAB9A
SCHEMBL21440869 0.80 ATM (0.48) MEN1KMT2AMAPK1CA1CA2
SCHEMBL28508515 0.80 ATM (0.48) MEN1KMT2AMAPK1CA1CA2
SCHEMBL17896161 0.80 ATM (0.48) MEN1KMT2AMAPK1CA1CA2
SCHEMBL20626799 0.78 APLNR (0.46) L3MBTL1MEN1KMT2AMAPK1RAB9A
SCHEMBL28514219 0.78 APLNR (0.46) L3MBTL1MEN1KMT2AMAPK1RAB9A
SCHEMBL17900614 0.78 APLNR (0.46) L3MBTL1MEN1KMT2AMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240773-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow AgroSciences LLC (US) 2017-11-08 EP disclosed
EP-3240424-A1 USE OF PICOLINAMIDE COMPOUNDS AS FUNGICIDES Dow AgroSciences LLC (US) 2017-11-08 EP disclosed
WO-2016122802-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-08-04 WO disclosed
WO-2016109257-A1 USE OF PICOLINAMIDE COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed