SCHEMBL30488151

SCHEMBL30488151

O=C(CN(CCO)Cc1ccccc1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
TSHR P16473 1/20 0.53
PLOD2 O00469 2/20 0.52
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
APP P05067 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.43
GPR52 Q9Y2T5 1/20 0.43
EPHX2 P34913 1/20 0.43
PLOD3 O60568 1/20 0.42
PLOD1 Q02809 1/20 0.42

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
SCHEMBL25272309 1.00 GAA (0.53) GAATSHRPLOD2KMT2ALMNA
SCHEMBL13562605 0.88 GAA (0.52) GAATSHRPLOD2KMT2ALMNA
SCHEMBL15965917 0.86 HTT (0.49) TSHRKMT2ALMNATDP1MEN1
Hydrochloric Acid SCHEMBL8091048 0.84 HTT (0.48) GAATSHRKMT2ALMNAMEN1
SCHEMBL6847142 0.78 GAA (0.52) GAATSHRPLOD2KMT2ALMNA
SCHEMBL13562578 0.77 PLOD2 (0.53) GAATSHRPLOD2LMNASMN1; SMN2
Trolamine SCHEMBL8880985 0.77 GAA (0.70) GAATSHRPLOD2KMT2ALMNA
SCHEMBL17713995 0.76 KMT2A (0.54) GAATSHRKMT2ALMNAALDH1A1
SCHEMBL26988420 0.76 MEN1 (0.43) TSHRKMT2ALMNAMEN1RAB9A
SCHEMBL24010815 0.76 ACHE (0.44) TSHRKMT2ALMNAMEN1ALDH1A1

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
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed