SCHEMBL28928844

SCHEMBL28928844

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

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.62
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
NPC1 O15118 2/20 0.62
MAPT P10636 4/20 0.58
GAA P10253 2/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 1/20 0.57
AHR P35869 1/20 0.57
CYP2C9 P11712 1/20 0.57
RECQL P46063 1/20 0.57
POLB P06746 1/20 0.55
RAB9A P51151 2/20 0.54
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.52

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
SCHEMBL10724596 0.89 KMT2A (0.62) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL28928860 0.87 RAB9A (0.55) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL10320585 0.83 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL23014488 0.83 ALDH1A1 (0.74) ALDH1A1KMT2ANPC1GAASMN1; SMN2
SCHEMBL28928853 0.82 KMT2A (0.72) ALDH1A1KMT2ANPC1MAPTGAA
SCHEMBL28928816 0.82 KMT2A (0.64) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL23014296 0.82 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL26644596 0.82 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1NPC1HPGD
SCHEMBL23014152 0.81 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL1193504 0.81 NPC1 (0.65) ALDH1A1KMT2AMEN1NPC1SMN1; SMN2

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