SCHEMBL17689752

SCHEMBL17689752

Cc1cc(N)ccc1N1CCC2(CCCCO2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
MAPT P10636 6/20 0.57
GAA P10253 4/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
THRB P10828 3/20 0.57
NR4A1 P22736 1/20 0.57
PTK2B Q14289 1/20 0.57
RAD52 P43351 2/20 0.48
GFER P55789 2/20 0.48
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
KCNH2 Q12809 2/20 0.40
KDM4E B2RXH2 3/20 0.40
ALOX15 P16050 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL10127901 0.80 MAPT (0.59) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL31312869 0.80 MAPT (0.59) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL19221810 0.79 ALDH1A1 (0.53) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL7031588 0.76 ALDH1A1 (0.89) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL6156455 0.76 ALDH1A1 (0.96) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL15358737 0.75 MAPT (0.81) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL10126783 0.75 MAPT (0.65) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL519230 0.75 MAPT (0.69) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL6272228 0.74 ALDH1A1 (0.86) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL241271 0.74 ALDH1A1 (0.93) ALDH1A1MAPTGAAMEN1KMT2A

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
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed