SCHEMBL6259642

SCHEMBL6259642

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.73
CYP1A2 P05177 2/20 0.73
THPO P40225 2/20 0.73
ALDH1A1 P00352 1/20 0.73
GLA P06280 1/20 0.73
PMP22 Q01453 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
NPC1 O15118 1/20 0.73
NPY1R P25929 1/20 0.73
HTT P42858 1/20 0.73
NPY2R P49146 1/20 0.73
RAB9A P51151 1/20 0.73
SLC29A1 Q99808 1/20 0.73
RXFP1 Q9HBX9 1/20 0.73
TSHR P16473 1/20 0.73
NFKB1 P19838 1/20 0.73
MAPK1 P28482 1/20 0.73
CYP2C19 P33261 1/20 0.73
ADORA1 P30542 2/20 0.70
ADORA2A P29274 2/20 0.70

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
SCHEMBL4801134 1.00 LMNA (0.73) LMNACYP1A2THPOALDH1A1GLA
SCHEMBL5389974 1.00 LMNA (0.73) LMNACYP1A2THPOALDH1A1GLA
SCHEMBL5384030 0.88 ADORA1 (0.68) LMNACYP1A2RXFP1MAPK1ADORA1
SCHEMBL3947524 0.88 ADORA1 (0.68) LMNACYP1A2RXFP1MAPK1ADORA1
SCHEMBL4808305 0.88 CYP1A2 (0.73) LMNACYP1A2THPOALDH1A1GLA
SCHEMBL7076252 0.87 ADORA1 (0.62) LMNACYP1A2RXFP1MAPK1ADORA1
SCHEMBL3949755 0.87 ADORA1 (0.62) LMNACYP1A2RXFP1MAPK1ADORA1
SCHEMBL5390238 0.87 ADORA1 (0.62) LMNACYP1A2RXFP1MAPK1ADORA1
SCHEMBL7076255 0.87 ADORA1 (0.62) LMNACYP1A2RXFP1MAPK1ADORA1
SCHEMBL31602192 0.86 ADORA3 (0.60) LMNACYP1A2RXFP1MAPK1ADORA1

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-1414837-B1 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2005-10-19 EP disclosed