SCHEMBL8842876

SCHEMBL8842876

Nc1cn(C(=O)O)nc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RORB Q92753 5/20 0.43
KMO O15229 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KIF11 P52732 1/20 0.42
CES2 O00748 1/20 0.42
DYRK1A Q13627 1/20 0.41
DYRK2 Q92630 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
XDH P47989 1/20 0.41

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
SCHEMBL6567678 0.78 ADORA2A (0.48) ADORA2AADORA1MAPTALDH1A1LMNA
SCHEMBL8842777 0.72 ADORA2A (0.45) ADORA2AADORA1MAPTALDH1A1LMNA
SCHEMBL8936345 0.71 KMO (0.54) ADORA2AADORA1ALDH1A1RORBKMO
SCHEMBL8936334 0.69 ADORA2A (0.51) ADORA2AADORA1ALDH1A1RORBKMO
SCHEMBL8842875 0.69 ADORA2A (0.48) ADORA2AADORA1ALDH1A1RORBKMO
SCHEMBL6631083 0.69 POLB (0.41) MAPTALDH1A1LMNAKMT2AMEN1
Bicarbonate SCHEMBL3262534 0.69 NUDT1 (0.62) ADORA2AADORA1KMOKMT2ADYRK1A
SCHEMBL3545816 0.69 LMNA (0.63) MAPTALDH1A1LMNANPSR1KMT2A
Urea SCHEMBL16246927 0.69 KIF11 (0.67) MAPTKMOKMT2AMEN1RAB9A
SCHEMBL13734158 0.68 BRD4 (0.53) ADORA2AADORA1ALDH1A1RORBKMO

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-5674887-A Prevention of bone resorption ELI LILLY AND COMPANY (US) 1997-10-07 US disclosed