SCHEMBL8992867

SCHEMBL8992867

N#CC(C(=O)c1cc[c]cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 6/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TSHR P16473 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 2/20 0.38
ESR2 Q92731 1/20 0.38
TRPA1 O75762 1/20 0.38
CYP3A4 P08684 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
ALPG P10696 1/20 0.37
CYP2D6 P10635 1/20 0.36

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
SCHEMBL7202862 0.91 L3MBTL1 (0.55) L3MBTL1TDP1LMNACES2CES1
SCHEMBL5505530 0.91 L3MBTL1 (0.61) L3MBTL1TDP1LMNACES2CES1
SCHEMBL19926126 0.83 CES2 (0.47) L3MBTL1TDP1LMNACES2CES1
SCHEMBL838079 0.83 L3MBTL1 (0.52) L3MBTL1TDP1LMNACES2CES1
SCHEMBL7200938 0.82 TDP1 (0.50) L3MBTL1TDP1LMNACES2CES1
SCHEMBL7196088 0.79 TSHR (0.47) L3MBTL1TDP1LMNACES2CES1
SCHEMBL7199609 0.79 LMNA (0.60) L3MBTL1TDP1LMNACES2CES1
SCHEMBL7198527 0.79 TDP1 (0.47) L3MBTL1TDP1LMNACES2CES1
SCHEMBL7198885 0.79 CES2 (0.47) L3MBTL1TDP1LMNACES2CES1
SCHEMBL14519387 0.79 L3MBTL1 (0.49) L3MBTL1TDP1LMNACES2CES1

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-0602478-B1 Novel process for producing N4-acyl-5'-deoxy-5-fluorocytidine derivatives HOFFMANN LA ROCHE (CH) 1996-07-31 EP disclosed