SCHEMBL28478117

SCHEMBL28478117

C=C(OC(=O)Nc1ccccc1Sc1ccccc1)C(=O)OCCC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 11/20 0.49
ALDH1A1 P00352 7/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 3/20 0.47
BLM P54132 1/20 0.47
LMNA P02545 5/20 0.46
HPGD P15428 4/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL28476602 0.91 TDP1 (0.49) TDP1POLBL3MBTL1ALDH1A1KMT2A
SCHEMBL19712980 0.80 ALDH1A1 (0.50) TDP1POLBL3MBTL1ALDH1A1KMT2A
SCHEMBL19712972 0.76 TDP1 (0.46) TDP1POLBL3MBTL1ALDH1A1KMT2A
SCHEMBL9049960 0.74 MAPT (0.64) TDP1POLBL3MBTL1ALDH1A1KMT2A
SCHEMBL17847447 0.74 KMT2A (0.51) TDP1POLBL3MBTL1ALDH1A1KMT2A
SCHEMBL19712990 0.72 ALDH1A1 (0.52) TDP1POLBL3MBTL1ALDH1A1KMT2A
SCHEMBL19713001 0.71 L3MBTL1 (0.50) TDP1POLBL3MBTL1ALDH1A1KMT2A
SCHEMBL17847441 0.70 TDP1 (0.46) TDP1POLBL3MBTL1ALDH1A1KMT2A
SCHEMBL9028 0.69 TDP1 (0.60) TDP1POLBL3MBTL1ALDH1A1KMT2A
SCHEMBL28253566 0.69 LMNA (0.65) TDP1POLBALDH1A1KMT2AMEN1

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
CN-107223121-B Wet stable holographic media 科思创德国股份有限公司 2020-10-27 CN disclosed