SCHEMBL29601320

SCHEMBL29601320

OCC1OC(n2cnc3c(Cl)nc(Cl)nc32)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 1.00
TP53 P04637 1/20 1.00
ADORA1 P30542 4/20 0.67
ADORA2A P29274 4/20 0.67
ADORA3 P0DMS8 3/20 0.67
ADORA2B P29275 1/20 0.67
MEN1 O00255 1/20 0.67
CYP1A2 P05177 1/20 0.67
MAPK1 P28482 1/20 0.67
KMT2A Q03164 1/20 0.67
RXFP1 Q9HBX9 1/20 0.66
HPGD P15428 1/20 0.65
PDE2A O00408 1/20 0.64
ADRA1A P35348 1/20 0.64
PDE4D Q08499 1/20 0.64
PDE3A Q14432 1/20 0.64
HTR2C P28335 1/20 0.63

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
SCHEMBL23982228 1.00 LMNA (1.00) LMNATP53ADORA1ADORA2AADORA3
SCHEMBL639000 1.00 LMNA (1.00) LMNATP53ADORA1ADORA2AADORA3
SCHEMBL26030665 1.00 LMNA (1.00) LMNATP53ADORA1ADORA2AADORA3
SCHEMBL638999 1.00 LMNA (1.00) LMNATP53ADORA1ADORA2AADORA3
SCHEMBL10607959 1.00 LMNA (1.00) LMNATP53ADORA1ADORA2AADORA3
SCHEMBL21783540 0.89 LMNA (0.80) LMNATP53ADORA1ADORA2AADORA3
SCHEMBL22289307 0.89 LMNA (0.80) LMNATP53ADORA1ADORA2AADORA3
SCHEMBL24195758 0.89 LMNA (0.80) LMNATP53ADORA1ADORA2AADORA3
SCHEMBL24233653 0.89 LMNA (0.80) LMNATP53ADORA1ADORA2AADORA3
SCHEMBL5498071 0.89 LMNA (0.80) LMNATP53ADORA1ADORA2AADORA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP claimed
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP disclosed