SCHEMBL20340201

SCHEMBL20340201

O=C(O)C(NCl)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ATM Q13315 3/20 0.47
GAA P10253 2/20 0.47
HSP90AA1 P07900 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CES1 P23141 4/20 0.47
CES2 O00748 3/20 0.47
LMNA P02545 1/20 0.47
MDM2 Q00987 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX15 P16050 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5137955 1.00 TDP1 (0.48) TDP1L3MBTL1ATMGAAHSP90AA1
SCHEMBL5752186 0.83 PDPK1 (0.50) RAB9ACES2LMNAMEN1KMT2A
SCHEMBL15984954 0.81 TDP1 (0.47) TDP1L3MBTL1ATMGAAHSP90AA1
SCHEMBL17785195 0.81 TDP1 (0.47) TDP1L3MBTL1ATMGAAHSP90AA1
SCHEMBL851629 0.81 TDP1 (0.47) TDP1L3MBTL1ATMGAAHSP90AA1
SCHEMBL7440566 0.81 TDP1 (0.47) TDP1L3MBTL1ATMGAAHSP90AA1
SCHEMBL5555205 0.81 TDP1 (0.47) TDP1L3MBTL1ATMGAAHSP90AA1
SCHEMBL13245918 0.80 KMT2A (0.50) TDP1L3MBTL1ATMGAAHSP90AA1
SCHEMBL10666925 0.79 ATM (0.49) TDP1L3MBTL1ATMGAAHSP90AA1
SCHEMBL11404130 0.79 ATM (0.49) TDP1L3MBTL1ATMGAAHSP90AA1

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
WO-2018126183-A2 HER3 PEPTIDES FOR IMAGING AND RADIOTHERAPY THE GENERAL HOSPITAL CORPORATION (US) 2018-07-05 WO disclosed