SCHEMBL8904692

SCHEMBL8904692

CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(O)nc(Cl)nc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
ADORA3 P0DMS8 4/20 0.56
ADORA2A P29274 3/20 0.56
ADORA1 P30542 2/20 0.56
PDE2A O00408 1/20 0.56
ADRA1A P35348 1/20 0.56
PDE4D Q08499 1/20 0.56
PDE3A Q14432 1/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ADORA2B P29275 2/20 0.52
CYP1A2 P05177 1/20 0.52
MAPK1 P28482 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL8904700 1.00 LMNA (0.61) LMNATP53ADORA3ADORA2AADORA1
SCHEMBL2938703 0.89 LMNA (0.61) LMNATP53ADORA3ADORA2AADORA1
SCHEMBL3437027 0.88 ADORA3 (0.72) LMNATP53ADORA3ADORA2AADORA1
SCHEMBL7198801 0.88 ADORA3 (0.72) LMNATP53ADORA3ADORA2AADORA1
SCHEMBL6560285 0.87 LMNA (0.80) LMNATP53ADORA3ADORA2AADORA1
SCHEMBL6560300 0.87 LMNA (0.80) LMNATP53ADORA3ADORA2AADORA1
SCHEMBL11311014 0.84 LMNA (0.65) LMNATP53ADORA3ADORA2AADORA1
SCHEMBL658714 0.84 MEN1 (0.66) ADORA3ADORA2AADORA1MEN1KMT2A
SCHEMBL11311023 0.84 LMNA (0.65) LMNATP53ADORA3ADORA2AADORA1
SCHEMBL20995821 0.84 MEN1 (0.66) ADORA3ADORA2AADORA1MEN1KMT2A

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-5658731-A GENE EXPRESSION; COMPLEXING REACTIONS EUROPAISCHES LABORATORIUM FUR MOLEKULARBIOLOGIE (DE) 1997-08-19 US disclosed