SCHEMBL30363330

SCHEMBL30363330

C=C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
RAPGEF3 O95398 1/20 0.51
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
LARS1 Q9P2J5 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
KAT6A Q92794 5/20 0.48
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NLRP3 Q96P20 1/20 0.45

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
SCHEMBL28941980 1.00 GAA (0.55) GAARAPGEF3ALDH1A1KMT2AMEN1
SCHEMBL28942000 0.84 KMT2A (0.51) GAAALDH1A1KMT2AMEN1KDM4E
SCHEMBL28942001 0.80 EGFR (0.53) ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL28941989 0.80 ALDH1A1 (0.51) GAAALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL28941992 0.80 HIF1A (0.47) ALDH1A1KAT6AHIF1A
SCHEMBL28942009 0.79 ALDH1A1 (0.52) GAAALDH1A1KMT2AMEN1LMNA
SCHEMBL28941999 0.79 NHERF1 (0.53) GAAALDH1A1KMT2AMEN1LMNA
SCHEMBL3097194 0.76 LARS1 (0.53) GAARAPGEF3ALDH1A1KMT2AMEN1
SCHEMBL10420167 0.76 GAA (0.65) GAAALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL28942006 0.76 POLB (0.48) GAAALDH1A1KMT2AL3MBTL1KDM4E

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-115650885-A Preparation method of N-acyl-2-amino acrylate 新乡学院 2023-01-31 CN disclosed