SCHEMBL8797462

SCHEMBL8797462

CCCCCCCCC1C(C(=O)OCCCc2cccnc2)=C(C)NC(C)=C1C(=O)OCCCc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CHRNA7 P36544 2/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 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
SCHEMBL8797103 1.00 LMNA (0.51) LMNAL3MBTL1TDP1CHRNA7MAPT
SCHEMBL8797114 1.00 LMNA (0.51) LMNAL3MBTL1TDP1CHRNA7MAPT
SCHEMBL8797106 0.99 LMNA (0.49) LMNAL3MBTL1TDP1CHRNA7MAPT
SCHEMBL8797141 0.96 L3MBTL1 (0.49) LMNAL3MBTL1TDP1CHRNA7ALDH1A1
SCHEMBL8797176 0.93 LMNA (0.52) LMNAL3MBTL1TDP1CHRNA7ALDH1A1
SCHEMBL8796913 0.88 CHRNA7 (0.52) CHRNA7ALDH1A1HSD17B10
SCHEMBL8797402 0.84 CHRNA7 (0.53) CHRNA7
SCHEMBL8797472 0.83 CHRNA7 (0.47) L3MBTL1CHRNA7ALDH1A1HPGDMEN1
SCHEMBL8797096 0.83 CHRNA7 (0.47) L3MBTL1CHRNA7ALDH1A1HPGDHSD17B10
SCHEMBL8797927 0.83 KMT2A (0.47) LMNAL3MBTL1MAPTALDH1A1HPGD

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-0801065-A1 1,4-DIHYDROPYRIDINE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1997-10-15 EP disclosed