SCHEMBL28754696

SCHEMBL28754696

Nc1c(CC2CCCCC2)nc2ccccc2c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
ACHE P22303 5/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
KCNH2 Q12809 2/20 0.46
GLA P06280 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 2/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
NQO2 P16083 1/20 0.46
MAOA P21397 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 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
SCHEMBL214618 0.85 ACHE (0.43) ACHEALDH1A1KDM4EHPGDKCNH2
SCHEMBL29099801 0.83 KMT2A (0.51) APPALDH1A1KDM4ESMN1; SMN2TDP1
Aminacrine SCHEMBL8711062 0.80 ACHE (0.60) APPACHEALDH1A1KDM4EHPGD
SCHEMBL787604 0.72 KDM4E (0.57) APPACHEALDH1A1KDM4EHPGD
SCHEMBL20475930 0.72 ALDH1A1 (0.57) APPACHEALDH1A1KDM4EHPGD
SCHEMBL16836308 0.72 TLR8 (0.57) APPACHEALDH1A1KDM4EHPGD
SCHEMBL16836489 0.70 TLR8 (0.58) APPACHEALDH1A1KDM4EHPGD
Aminacrine SCHEMBL8713522 0.69 ACHE (0.58) APPACHEALDH1A1KDM4EHPGD
SCHEMBL10589352 0.68 MEN1 (0.45) APPALDH1A1KMT2AMAPTMEN1
SCHEMBL19916032 0.68 LOXL2 (0.53) APPALDH1A1KDM4ESMN1; SMN2TSHR

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
CN-1747953-A Aryl / hetaryl substituted imidazoquinolines. 3M INNOVATIVE PROPERTIES CO (US) 2006-03-15 CN disclosed