SCHEMBL9724366

SCHEMBL9724366

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.36
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CES1 P23141 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MGLL Q99685 1/20 0.36
ALDH1A1 P00352 3/20 0.36
ALOX12 P18054 1/20 0.36
CYP2D6 P10635 1/20 0.36
RAB9A P51151 2/20 0.35
USP2 O75604 1/20 0.34
POLB P06746 2/20 0.34
PTPN1 P18031 1/20 0.33

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
SCHEMBL8371252 0.79 GAA (0.46) SMN1; SMN2CYP3A4KDM4EHPGDKMT2A
SCHEMBL9724362 0.78 PARP1 (0.36) PARP1SMN1; SMN2CYP3A4KDM4EMEN1
SCHEMBL9724338 0.77 SMN1; SMN2 (0.47) SMN1; SMN2CYP3A4KDM4EMEN1MAPT
SCHEMBL6993582 0.77 KMT2A (0.50) SMN1; SMN2CYP3A4KDM4EMEN1MAPT
SCHEMBL8597576 0.76 ALDH1A1 (0.42) SMN1; SMN2MEN1MAPTKMT2ATDP1
SCHEMBL31418693 0.75 ALDH1A1 (0.51) SMN1; SMN2MAPK1ALDH1A1HTT
SCHEMBL30442090 0.75 ALDH1A1 (0.51) SMN1; SMN2MAPK1ALDH1A1HTT
SCHEMBL5352301 0.75 ALDH1A1 (0.51) SMN1; SMN2MAPK1ALDH1A1HTT
SCHEMBL10975765 0.74 KMT2A (0.40) SMN1; SMN2MAPTMAPK1KMT2ATDP1
SCHEMBL22043005 0.74 HDAC2 (0.45) SMN1; SMN2KDM4EMEN1MAPTHPGD

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
US-5162505-A Proteins modified with positively charged carriers and compositions prepared therefrom CENTOCOR (US) 1992-11-10 US disclosed