SCHEMBL28812355

SCHEMBL28812355

O=C(O)C(Nc1ccccc1)C(Nc1ccccc1)C(=O)O.[KH].[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
EPHX1 P07099 1/20 0.44
EPHX2 P34913 1/20 0.44
CDK9 P50750 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
HSD17B10 Q99714 4/20 0.43
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 2/20 0.43
ALOX12 P18054 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL868433 0.84 CA12 (0.45) CA12CA9SMN1; SMN2TSHRTDP1
SCHEMBL625123 0.84 CA12 (0.45) CA12CA9SMN1; SMN2TSHRTDP1
SCHEMBL27670991 0.84 GAA (0.43) CA12CA9SMN1; SMN2TSHRTDP1
SCHEMBL27670987 0.84 GAA (0.43) CA12CA9SMN1; SMN2TSHRTDP1
SCHEMBL2159137 0.83 LMNA (0.59) SMN1; SMN2TSHRTDP1GAALMNA
SCHEMBL8745550 0.83 LMNA (0.59) SMN1; SMN2TSHRTDP1GAALMNA
SCHEMBL2159141 0.83 LMNA (0.59) SMN1; SMN2TSHRTDP1GAALMNA
SCHEMBL3876430 0.83 MAPT (0.47) CA12CA9SMN1; SMN2TSHRTDP1
SCHEMBL30564492 0.83 CA12 (0.44) CA12CA9SMN1; SMN2TSHRTDP1
Hydrochloric Acid SCHEMBL11195541 0.81 LMNA (0.57) SMN1; SMN2TSHRTDP1GAALMNA

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-114957028-A Rapid synthesis method of anilino acetate 上海东庚化工技术有限公司 2022-08-30 CN disclosed
CN-114853620-A Anilino acetate and synthesis method thereof 上海东庚化工技术有限公司 2022-08-05 CN disclosed