SCHEMBL5269568

SCHEMBL5269568

CCCCOCCOc1cc(NC(=O)O)nc(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.48
ADORA1 P30542 7/20 0.48
ADORA3 P0DMS8 6/20 0.48
RARB P10826 2/20 0.47
DHODH Q02127 1/20 0.46
RARA P10276 1/20 0.45
ADORA2A P29274 3/20 0.45
P2RY12 Q9H244 3/20 0.45
ADORA2B P29275 3/20 0.44
PDE10A Q9Y233 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL4273262 0.83 ADORA3 (0.53) ADORA1ADORA3ADORA2AP2RY12ADORA2B
SCHEMBL4259792 0.83 RARB (0.53) PLA2G2ARARBDHODHRARAP2RY12
SCHEMBL4267602 0.81 ADORA1 (0.49) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL4263649 0.80 ADORA1 (0.48) PLA2G2AADORA1ADORA3RARBADORA2A
SCHEMBL4265091 0.80 P2RY12 (0.49) PLA2G2ARARBDHODHRARAP2RY12
SCHEMBL4264916 0.79 XDH (0.46) PLA2G2ARARBDHODHRARANPC1
SCHEMBL4263343 0.77 MCL1 (0.52) ADORA1ADORA3ADORA2AP2RY12ADORA2B
SCHEMBL4260900 0.77 RARB (0.44) PLA2G2AADORA1RARBDHODHRARA
SCHEMBL13952546 0.74 ADORA3 (0.52) PLA2G2AADORA1ADORA3ADORA2AP2RY12
SCHEMBL14802124 0.73 LTA4H (0.53) PLA2G2AADORA3DHODHNPC1MAPT

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-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP disclosed