SCHEMBL28025751

SCHEMBL28025751

CC(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 1.00
RXFP1 Q9HBX9 6/20 0.71
MAPK1 P28482 2/20 0.71
TP53 P04637 1/20 0.71
LMNA P02545 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.62
MAPT P10636 1/20 0.62

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
SCHEMBL10859793 0.90 ADORA2B (0.81) ADORA2BRXFP1MAPK1TP53LMNA
SCHEMBL11385039 0.88 ADORA2B (0.78) ADORA2BRXFP1MAPK1TP53LMNA
SCHEMBL10432117 0.84 ADORA2B (0.72) ADORA2BRXFP1MAPK1TP53LMNA
SCHEMBL10432118 0.84 ADORA2B (0.72) ADORA2BRXFP1MAPK1TP53LMNA
SCHEMBL17744966 0.83 ADORA1 (0.75) ADORA2BRXFP1LMNAMAPT
SCHEMBL16120984 0.82 ADORA2B (0.81) ADORA2BRXFP1MAPK1LMNASMN1; SMN2
SCHEMBL18175139 0.82 ADORA2B (0.71) ADORA2BRXFP1LMNASMN1; SMN2MAPT
SCHEMBL10967382 0.82 MAPK1 (0.82) ADORA2BRXFP1MAPK1LMNASMN1; SMN2
SCHEMBL17748272 0.81 ADORA1 (0.76) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL11531219 0.80 ADORA2B (0.78) ADORA2BRXFP1MAPK1TP53LMNA

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
CN-102796102-B Caffeine haptens, conjugate and application, caffeine detection or measuring method GUANGZHOU WANDFO BIOTECHNOLOGY CO.,LTD. (CN) 2015-09-16 CN disclosed