SCHEMBL8410646

SCHEMBL8410646

[c]1[nH]ccc1N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 2/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
JAK3 P52333 1/20 0.36
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL11053972 0.85
SCHEMBL1385232 0.81 CHKA (0.32) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL4515850 0.78 ADRB1 (0.44) ALDH1A1KDM4E
SCHEMBL28416073 0.65 ALDH1A1 (0.42) LMNAALDH1A1MAPTMEN1HTT
SCHEMBL4510267 0.65 LMNA (0.42) LMNAALDH1A1MAPTMEN1HTT
SCHEMBL9093746 0.65 LMNA (0.71) LMNAALDH1A1MAPTMEN1HTT
SCHEMBL1256702 0.64 POLB (0.37) LMNAMEN1HTTKMT2ATP53
SCHEMBL1607692 0.64 LMNA (0.41) LMNAALDH1A1MAPTMEN1HTT
SCHEMBL189494 0.64 LMNA (0.50) LMNAALDH1A1MAPTMEN1HTT
SCHEMBL4723299 0.63 LMNA (0.44) LMNAMAPTHTTNPC1RAB9A

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
US-5985894-A USEFUL IN THE TREATMENT OF CARDIOVASCULAR ILLNESSES HOECHST MARION ROUSSEL (FR) 1999-11-16 US disclosed