SCHEMBL9724358

SCHEMBL9724358

N=C(CCC(=O)OC(=O)CNC(=O)CNC(=O)CNC(=S)CC(=O)c1ccccc1)OC(=O)CNC(=O)CNC(=O)CNC(=S)CC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
CMA1 P23946 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP3A4 P08684 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
CES1 P23141 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 7/20 0.36
ALOX12 P18054 1/20 0.36
POLB P06746 1/20 0.34
PTPN1 P18031 1/20 0.34
ERCC5 P28715 1/20 0.34

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
SCHEMBL6993582 0.78 KMT2A (0.50) SMN1; SMN2MEN1MAPTKMT2ACYP3A4
SCHEMBL9724366 0.73 PARP1 (0.39) SMN1; SMN2MEN1MAPTKMT2ACYP3A4
SCHEMBL8596365 0.71 MEN1 (0.57) SMN1; SMN2MEN1MAPTKMT2ACYP3A4
SCHEMBL10790420 0.68 KMT2A (0.41) SMN1; SMN2MEN1MAPTKMT2ACYP3A4
SCHEMBL6205636 0.68 NR4A2 (0.65) PRSS1CTSGCTRB1CMA1SMN1; SMN2
SCHEMBL6754862 0.67 MAPK1 (0.46) PRSS1CTSGCTRB1CMA1SMN1; SMN2
SCHEMBL11276739 0.66 NR4A2 (0.58) SMN1; SMN2MEN1MAPTKMT2ACYP3A4
SCHEMBL3252460 0.66 KMT2A (0.70) PRSS1CTSGCTRB1CMA1SMN1; SMN2
SCHEMBL5655365 0.65 PRSS1 (0.68) PRSS1CTSGCTRB1CMA1SMN1; SMN2
SCHEMBL2257751 0.65 TSHR (0.44) PRSS1CTSGCTRB1CMA1SMN1; SMN2

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