SCHEMBL7272170

SCHEMBL7272170

O=C(COCCN1C(=O)c2ccccc2C1=O)CC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GLA P06280 1/20 0.43
BRCA1 P38398 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL10766778 0.88 SMN1; SMN2 (0.46) SMN1; SMN2HSD17B10POLBAPEX1TDP1
SCHEMBL4985915 0.84 HSD17B10 (0.50) SMN1; SMN2HSD17B10POLBAPEX1TDP1
SCHEMBL10764447 0.83 KMT2A (0.51) SMN1; SMN2HSD17B10POLBTDP1L3MBTL1
SCHEMBL4983346 0.82 HSD17B10 (0.53) SMN1; SMN2HSD17B10POLBAPEX1TDP1
SCHEMBL9760318 0.82 HSD17B10 (0.48) SMN1; SMN2HSD17B10POLBAPEX1TDP1
SCHEMBL5050634 0.81 NPSR1 (0.61) SMN1; SMN2HSD17B10POLBAPEX1TDP1
SCHEMBL10768404 0.80 POLB (0.46) SMN1; SMN2HSD17B10POLBAPEX1TDP1
SCHEMBL3183400 0.79 SMN1; SMN2 (0.55) SMN1; SMN2HSD17B10POLBAPEX1TDP1
SCHEMBL9760740 0.79 HSD17B10 (0.46) SMN1; SMN2HSD17B10POLBAPEX1TDP1
SCHEMBL10766786 0.79 RAB9A (0.56) SMN1; SMN2HSD17B10POLBAPEX1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0225175-A2 Dihydropyridine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-06-10 EP disclosed
EP-0174131-A2 Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them FISONS plc (GB) 1986-03-12 EP disclosed