SCHEMBL9494041

SCHEMBL9494041

CC(C)[C@@]1(n2cnc3c(Nc4ccccc4)nc(Cl)nc32)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.46
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPY1R P25929 1/20 0.44
HTT P42858 1/20 0.44
NPY2R P49146 1/20 0.44
RAB9A P51151 1/20 0.44
SLC29A1 Q99808 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44
CDK5 Q00535 3/20 0.43

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
SCHEMBL4625108 0.86 LMNA (0.57) LMNANPC1ALDH1A1GLAPMP22
SCHEMBL30255735 0.86 LMNA (0.57) LMNANPC1ALDH1A1GLAPMP22
SCHEMBL9404549 0.76 ADORA2A (0.44) ADORA1
SCHEMBL6259642 0.74 LMNA (0.73) ADORA1LMNANPC1ALDH1A1GLA
SCHEMBL5389974 0.74 LMNA (0.73) ADORA1LMNANPC1ALDH1A1GLA
SCHEMBL4801134 0.74 LMNA (0.73) ADORA1LMNANPC1ALDH1A1GLA
SCHEMBL6829149 0.74 AHCY (0.43) ADORA1SLC29A1CYP2C19CDK2
Benzene SCHEMBL27650186 0.73 PI4KA (0.48) ADORA1SMN1; SMN2SLC29A1MAPK1POLB
SCHEMBL27597373 0.71 PI4KA (0.39) ADORA1
SCHEMBL31170697 0.71 PI4KA (0.39) ADORA1

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-0253962-B1 USE OF ADENOSINE DERIVATIVES AS ANTI-DEMENTIA AGENTS HOECHST JAPAN LIMITED (JP) 1993-03-24 EP disclosed