SCHEMBL19101883

SCHEMBL19101883

C[C@@H](O)COc1ccc2nc(-c3ccc(N(C)C)cc3)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
MAOB P27338 3/20 0.54
APP P05067 6/20 0.52
MAOA P21397 1/20 0.45
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL20652923 0.89 MAPT (0.62) MAPTMAOBAPPMAOAESR1
SCHEMBL23418133 0.88 MAPT (0.71) MAPTMAOBAPPMAOAESR1
SCHEMBL18027570 0.88 MAPT (0.71) MAPTMAOBAPPMAOAESR1
SCHEMBL18027568 0.88 MAPT (0.65) MAPTMAOBAPPMAOAPDE3B
SCHEMBL19017687 0.87 MAPT (0.80) MAPTMAOBAPPMAOAESR1
SCHEMBL17430223 0.87 MAPT (0.80) MAPTMAOBAPPMAOAESR1
SCHEMBL17430217 0.87 MAPT (0.80) MAPTMAOBAPPMAOAESR1
SCHEMBL17430224 0.87 MAPT (0.80) MAPTMAOBAPPMAOAESR1
SCHEMBL15224502 0.87 MAPT (0.80) MAPTMAOBAPPMAOAESR1
SCHEMBL26373927 0.86 MAPT (0.66) MAPTMAOBAPPMAOAESR1

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-9701637-B2 Tau imaging probe GE HEALTHCARE LIMITED (GB) 2017-07-11 US disclosed