SCHEMBL29175141

SCHEMBL29175141

Cc1ccc(OC(=O)CN)cc1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
ACHE P22303 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GLA P06280 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL27575306 0.84 MAOB (0.45) TDP1ACHEL3MBTL1NPC1ALDH1A1
SCHEMBL28651058 0.84 L3MBTL1 (0.61) TDP1ACHEL3MBTL1NPC1GAA
SCHEMBL4789760 0.81 MAPT (0.38) TDP1L3MBTL1NPC1ALDH1A1MAPT
SCHEMBL27565314 0.81 KMT2A (0.52) TDP1ACHEL3MBTL1NPC1MRGPRX4
SCHEMBL1432110 0.79 ACHE (0.59) TDP1ACHEMRGPRX4HDAC1HDAC6
SCHEMBL3879835 0.77 MRGPRX4 (0.44) TDP1ACHEL3MBTL1NPC1MRGPRX4
SCHEMBL28642071 0.77 SOS1 (0.45) NPC1MAPTKMT2ASMN1; SMN2HTT
SCHEMBL14870776 0.76 HDAC1 (0.46) TDP1ACHEL3MBTL1NPC1MRGPRX4
SCHEMBL17355847 0.75 ACHE (0.42) TDP1ACHEL3MBTL1NPC1MRGPRX4
SCHEMBL19806732 0.75 KMT2A (0.53) TDP1ACHEL3MBTL1NPC1MRGPRX4

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-112939883-B Preparation method of polysubstituted 1, 3-oxazolidine compound 兰州大学 2024-01-16 CN disclosed
CN-112939883-A Preparation method of polysubstituted 1, 3 oxazolidine compound 兰州大学 2021-06-11 CN disclosed