SCHEMBL9294398

SCHEMBL9294398

CCCC(O)CCCCCCn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.63
MAPK1 P28482 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.55
ADORA2A P29274 2/20 0.54
PDE4A P27815 2/20 0.54
PDE4B Q07343 2/20 0.54
PDE4C Q08493 2/20 0.54
PDE4D Q08499 2/20 0.54
TSHR P16473 1/20 0.54
HTR7 P34969 1/20 0.51
HTR6 P50406 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
SCHEMBL9293623 1.00 ADORA2B (0.63) ADORA2BMAPK1RXFP1LMNASMN1; SMN2
SCHEMBL9295115 0.92 ADORA2B (0.64) ADORA2BMAPK1RXFP1LMNASMN1; SMN2
SCHEMBL9294238 0.91 PDE4A (0.62) ADORA2BMAPK1RXFP1LMNASMN1; SMN2
SCHEMBL6774762 0.89 LMNA (0.71) ADORA2BMAPK1RXFP1LMNASMN1; SMN2
SCHEMBL10811332 0.88 LMNA (0.73) ADORA2BMAPK1RXFP1LMNASMN1; SMN2
SCHEMBL8378780 0.87 ADORA2B (0.56) ADORA2BMAPK1RXFP1LMNASMN1; SMN2
SCHEMBL11701929 0.86 ADORA2B (0.78) ADORA2BMAPK1RXFP1LMNASMN1; SMN2
SCHEMBL11702145 0.86 ADORA2B (0.78) ADORA2BMAPK1RXFP1LMNASMN1; SMN2
SCHEMBL10394216 0.86 ADORA2B (0.78) ADORA2BMAPK1RXFP1LMNASMN1; SMN2
SCHEMBL11699832 0.86 ADORA2B (0.78) ADORA2BMAPK1RXFP1LMNASMN1; SMN2

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-5288721-A Substituted epoxyalkyl xanthines CELL THERAPEUTICS, INC. (US) 1994-02-22 US disclosed