SCHEMBL28548708

SCHEMBL28548708

COc1ccc(COC(CO)Cc2ccc(Br)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LDHA P00338 1/20 0.44
MAOB P27338 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A4 P31645 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41

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
SCHEMBL26985881 0.84 CYP2C9 (0.53) RAB9APOLBNPC1LDHAMAOB
SCHEMBL16599792 0.81 IDO1 (0.48) KMT2AMAPTMAOBALDH1A1IDO1
SCHEMBL5831258 0.80 LDHA (0.50) POLBLDHACYP2C9TSHRSLC6A4
SCHEMBL17669941 0.80 LDHA (0.50) POLBLDHACYP2C9TSHRSLC6A4
SCHEMBL21810974 0.80 CYP2C9 (0.49) RAB9APOLBNPC1LDHAMAOB
SCHEMBL1262676 0.76 LDHA (0.53) POLBLDHACYP2C9TSHRSLC6A4
SCHEMBL19930587 0.75 KMT2A (0.41) KMT2AMEN1MAPTPOLBMAOB
SCHEMBL28565120 0.75 MEN1 (0.44) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL11232686 0.74 IDO1 (0.52) RAB9APOLBNPC1LDHAMAOB
SCHEMBL1310325 0.73 KMT2A (0.58) KMT2AMEN1MAPTRAB9ANPC1

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