SCHEMBL28623353

SCHEMBL28623353

CCOC(=O)/C=C/C(=N\OC(C)=O)c1ccco1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
PKM P14618 3/20 0.41
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 2/20 0.39
ABL1 P00519 1/20 0.39
F2 P00734 1/20 0.39
TSHR P16473 1/20 0.39
RIN1 Q13671 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
LMNA P02545 1/20 0.38
MDM2 Q00987 1/20 0.38

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
SCHEMBL30272362 0.79 MAPT (0.49) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL28621787 0.79 MAPT (0.49) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL29098732 0.78 MAPT (0.57) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30462635 0.77 LMNA (0.45) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28739156 0.76 MAPT (0.47) MAPTALDH1A1SMN1; SMN2PKMKMT2A
SCHEMBL30462627 0.76 ALDH1A1 (0.45) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28708099 0.76 ALDH1A1 (0.45) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28739142 0.75 MAPT (0.43) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30462634 0.75 LMNA (0.56) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30462626 0.74 MAPT (0.40) MAPTNPC1RAB9AALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114524777-A Synthesis method of dihydrooxazole compound 南京先进生物材料与过程装备研究院有限公司 2022-05-24 CN disclosed
CN-113307766-A Method for synthesizing pyridine compound by using microchannel reaction device 南京先进生物材料与过程装备研究院有限公司 2021-08-27 CN disclosed