SCHEMBL27857052

SCHEMBL27857052

c1ccc(CCNc2ncc3ccccc3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.57
FDPS P14324 1/20 0.53
ACHE P22303 6/20 0.52
BCHE P06276 5/20 0.52
PDE10A Q9Y233 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
SLC2A1 P11166 1/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
NPC1 O15118 1/20 0.48
EGFR P00533 1/20 0.48
MAPK1 P28482 1/20 0.48
PCSK9 Q8NBP7 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
Hydrochloric Acid SCHEMBL10585056 0.98 APP (0.56) APPFDPSACHEBCHEPDE10A
SCHEMBL27873802 0.91 HPGD (0.59) APPFDPSACHEBCHEPDE10A
SCHEMBL5135084 0.88 MRGPRX1 (0.53) APPFDPSPDE10AHDAC3HDAC1
SCHEMBL27857007 0.85 RAD52 (0.56) APPFDPSACHEBCHEHDAC3
SCHEMBL7683833 0.80 FDPS (0.56) APPFDPSACHEBCHEPDE10A
SCHEMBL17186572 0.78 APP (0.54) APPACHEBCHEHDAC3HDAC1
SCHEMBL3337103 0.77 FDPS (0.53) FDPSPDE10ASLC2A1RAB9ANPC1
SCHEMBL27485928 0.77 TLR8 (0.54) FDPSBCHEPDE10ANPC1EGFR
SCHEMBL11477682 0.77 FDPS (0.57) FDPSPDE10APCSK9KDM4EALDH1A1
SCHEMBL22151175 0.77 APP (0.64) APPACHEBCHERAB9ALMNA

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-102491949-A Method for synthesizing 2-(N-alkyl) aminopyrimidine derivatives by means of N-alkylation UNIV NANJING SCIENCE & TECH 2012-06-13 CN disclosed