SCHEMBL21572873

SCHEMBL21572873

CCCCCCCOC(=O)c1nc(C)c(C(=O)OCCCCCCC)nc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
MAPT P10636 3/20 0.57
ATM Q13315 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
GAA P10253 1/20 0.57
ALDH1A1 P00352 3/20 0.53
TSHR P16473 2/20 0.53
ESR1 P03372 3/20 0.51
APP P05067 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
NAAA Q02083 1/20 0.48
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL11230500 0.81 LMNA (0.56) LMNAMAPTATML3MBTL1GAA
SCHEMBL11232238 0.81 LMNA (0.56) LMNAMAPTATML3MBTL1GAA
SCHEMBL11228075 0.81 LMNA (0.56) LMNAMAPTATML3MBTL1GAA
SCHEMBL11234134 0.81 LMNA (0.56) LMNAMAPTATML3MBTL1GAA
SCHEMBL11237197 0.79 LMNA (0.55) LMNAMAPTATML3MBTL1GAA
SCHEMBL16417679 0.79 LMNA (0.51) LMNAMAPTATML3MBTL1GAA
SCHEMBL16417708 0.79 LMNA (0.51) LMNAMAPTATML3MBTL1GAA
SCHEMBL21572852 0.78 ALDH1A1 (0.56) LMNAMAPTGAAALDH1A1TSHR
SCHEMBL11237216 0.78 LMNA (0.54) LMNAMAPTATML3MBTL1GAA
SCHEMBL11005721 0.77 TSHR (0.63) LMNAMAPTALDH1A1TSHRESR1

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-3569594-A1 METHOD FOR THE PREPARATION OF SUBSTITUTED PYRAZINES Universität Graz (AT) 2019-11-20 EP disclosed