SCHEMBL9724362

SCHEMBL9724362

O=C(O)CN(C(=O)CNC(=O)CNC(=S)CC(=O)c1ccccc1)N1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CES1 P23141 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 2/20 0.33
OPRK1 P41145 2/20 0.32
CYP2D6 P10635 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL8887585 0.81 GPR139 (0.40) PARP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL9724366 0.78 PARP1 (0.39) PARP1SMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL6993582 0.76 KMT2A (0.50) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL8887587 0.72 KMT2A (0.40) PARP1ALDH1A1KMT2AMAPTHPGD
SCHEMBL8596365 0.70 MEN1 (0.57) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL9067904 0.69 KMT2A (0.48) SMN1; SMN2ALDH1A1KMT2AMAPTKDM4E
SCHEMBL9724358 0.65 PRSS1 (0.41) PARP1SMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL10790420 0.64 KMT2A (0.41) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL9724338 0.64 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL3392049 0.63 KDM4E (0.34) KDM4EALOX15TDP1GAAHTT

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