SCHEMBL8560845

SCHEMBL8560845

[c]1ccc(Sc2ccnc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.42
SLC22A12 Q96S37 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
HTR1A P08908 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
MAPT P10636 3/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.34
PTK2B Q14289 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FERMT2 Q96AC1 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
SCHEMBL7488303 0.80 KDM1A (0.54) NCF1SLC22A12LOXL2HTR1AADRA1D
SCHEMBL4371190 0.80 MEN1 (0.43) NCF1SLC22A12LOXL2HTR1AADRA1D
SCHEMBL27306674 0.80 NCF1 (0.46) NCF1SLC22A12LOXL2HTR1AADRA1D
SCHEMBL8565482 0.75 ADRB2 (0.42) NCF1SLC22A12ALDH1A1MEN1KMT2A
SCHEMBL8563075 0.74 MAPT (0.52) MAPTKDM4ECYP1A2NPC1RAB9A
SCHEMBL13239525 0.74 HPGD (0.53) SLC22A12MAPTNPC1RAB9AALDH1A1
SCHEMBL8564352 0.72 IFNAR1 (0.47) MAPTCYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL7488299 0.71 NCF1 (0.56) NCF1SLC22A12LOXL2HTR1AADRA1D
SCHEMBL21082253 0.71 NCF1 (0.50) NCF1SLC22A12LOXL2HTR1AADRA1D
SCHEMBL7053633 0.71 NCF1 (0.50) NCF1SLC22A12LOXL2HTR1AADRA1D

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-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed