SCHEMBL28928871

SCHEMBL28928871

COc1ccc(C(O)CNC(=O)c2ccco2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.67
PKM P14618 1/20 0.65
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
RECQL P46063 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 4/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
AOC3 Q16853 1/20 0.50
TP53 P04637 1/20 0.49
NQO2 P16083 1/20 0.49
KDM4E B2RXH2 1/20 0.49
AHR P35869 1/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL28929184 0.88 RAB9A (0.53) RAB9APKMALDH1A1KMT2AMEN1
SCHEMBL28928867 0.83 KMT2A (0.60) RAB9APKMALDH1A1KMT2ALMNA
SCHEMBL28928817 0.83 POLB (0.55) RAB9APKMALDH1A1KMT2AMEN1
SCHEMBL28929417 0.83 SMN1; SMN2 (0.55) RAB9APKMALDH1A1KMT2AMEN1
SCHEMBL26644596 0.80 ALDH1A1 (0.68) RAB9AALDH1A1KMT2AMEN1HPGD
SCHEMBL30644009 0.79 NPC1 (0.72) RAB9AALDH1A1KMT2AMEN1MAPT
SCHEMBL31232828 0.79 NPC1 (0.72) RAB9AALDH1A1KMT2AMEN1MAPT
SCHEMBL28928844 0.76 ALDH1A1 (0.62) RAB9APKMALDH1A1KMT2AMEN1
SCHEMBL23521348 0.76 ALDH1A1 (0.60) RAB9APKMALDH1A1KMT2AMEN1
SCHEMBL7044792 0.76 AOC3 (0.63) RAB9AALDH1A1KMT2ALMNAMAPT

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
CN-115583942-A 2-substituted 5-phenyl-oxazole derivative, preparation method thereof and application thereof as MNK (MNK) inhibitor 中国海洋大学 2023-01-10 CN disclosed