SCHEMBL9724338

SCHEMBL9724338

O=C(CC(=S)ON1C(=O)CCC1=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
CES1 P23141 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 5/20 0.43
MGLL Q99685 1/20 0.43
PTPN1 P18031 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
GSK3A P49840 1/20 0.40

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
SCHEMBL9485667 0.79 SLC7A5 (0.40) KMT2AALOX15MAPK1MGLLALDH1A1
SCHEMBL9724366 0.77 PARP1 (0.39) SMN1; SMN2KMT2AMEN1CYP3A4HPGD
SCHEMBL13997654 0.77 NR4A2 (0.49) SMN1; SMN2KMT2AMEN1HPGDMAPT
SCHEMBL133554 0.75 KMT2A (0.53) SMN1; SMN2KMT2AMAPTMAPK1TDP1
SCHEMBL19309377 0.75 KMT2A (0.53) SMN1; SMN2KMT2AMAPTMAPK1TDP1
SCHEMBL10720603 0.75 L3MBTL1 (0.50) SMN1; SMN2KMT2AMAPTTDP1RAB9A
SCHEMBL25763807 0.74 ALDH1A1 (0.66) SMN1; SMN2KMT2AMEN1CYP3A4HPGD
SCHEMBL142707 0.74 MGAM (0.31) MAPTMGLLALDH1A1
SCHEMBL11194320 0.72 KMT2A (0.50) SMN1; SMN2KMT2AMEN1HPGDMAPT
SCHEMBL9211733 0.72 KMT2A (0.47) SMN1; SMN2KMT2AMEN1CYP3A4HPGD

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
US-5162505-A Proteins modified with positively charged carriers and compositions prepared therefrom CENTOCOR (US) 1992-11-10 US disclosed
US-5144043-A Coupling protein or peptide to radionucleotide; labeling antibodies CENTOCOR (US) 1992-09-01 US disclosed