SCHEMBL28548709

SCHEMBL28548709

COc1ccc(COC(C)C(O)c2ccc(Br)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IGF1R P08069 1/20 0.42
MAOB P27338 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
APLNR P35414 2/20 0.40
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL17900694 0.86 FFAR1 (0.52) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL22474200 0.86 FFAR1 (0.52) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL28514163 0.86 FFAR1 (0.52) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL28508515 0.85 ATM (0.48) ALDH1A1KMT2AMEN1GAACA1
SCHEMBL17896161 0.85 ATM (0.48) ALDH1A1KMT2AMEN1GAACA1
SCHEMBL21440869 0.85 ATM (0.48) ALDH1A1KMT2AMEN1GAACA1
SCHEMBL17749396 0.75 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL17901119 0.75 CA1 (0.47) RAB9ANPC1MAOBCA1CA2
SCHEMBL19714531 0.75 CA1 (0.47) RAB9ANPC1MAOBCA1CA2
SCHEMBL17900530 0.74 MEN1 (0.43) ALDH1A1KMT2AMEN1RAB9AGAA

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
CN-113615696-A Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2021-11-09 CN disclosed
CN-107205405-B Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2021-08-24 CN disclosed
CN-113173838-A Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2021-07-27 CN disclosed
CN-107207414-B Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2021-03-30 CN disclosed