SCHEMBL20101392

SCHEMBL20101392

CC1CC(=O)N(OC(=O)Cc2ncc3ccccc3c2-c2ccccc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
PTGIR P43119 10/20 0.34
PTGDR Q13258 6/20 0.34
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FPR1 P21462 2/20 0.31
FPR2 P25090 2/20 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
SCHEMBL16624654 0.85 TDP1 (0.39) TDP1NPC1SMN1; SMN2LMNAL3MBTL1
SCHEMBL21610293 0.73 TDP1 (0.43) TDP1NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL16624730 0.72 SMN1; SMN2 (0.48) TDP1NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL20799451 0.66 HPGD (0.46) TDP1ALDH1A1
SCHEMBL20026779 0.66 KMT2A (0.41) SMN1; SMN2ALDH1A1LMNA
SCHEMBL20306216 0.66 KMT2A (0.41) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL17954336 0.65 HPGD (0.44) TDP1ALDH1A1
SCHEMBL22333840 0.65 DHFR (0.46) TDP1NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL10068094 0.65 CHRM2 (0.33) ALDH1A1
SCHEMBL18538124 0.64 BRD4 (0.33)

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
EP-3052107-B1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS AG (CH) 2018-05-02 EP disclosed