SCHEMBL6673524

SCHEMBL6673524

CC(O)CNC(=O)c1c[nH]cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACR P10323 1/20 0.42
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HPGD P15428 2/20 0.36
SCN9A Q15858 3/20 0.36
CFTR P13569 1/20 0.36
RAB9A P51151 1/20 0.35
SMPD1 P17405 1/20 0.34
ACVR1 Q04771 1/20 0.34
LGALS9 O00182 1/20 0.34
LGALS8 O00214 1/20 0.34
LGALS3 P17931 1/20 0.34
LGALS7; LGALS7B P47929 1/20 0.34
MAP3K7 O43318 2/20 0.34
TAB1 Q15750 2/20 0.34
ACSS2 Q9NR19 1/20 0.34
PARP1 P09874 1/20 0.33

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
SCHEMBL3010858 0.83 HPGD (0.36) HPGDRAB9A
SCHEMBL3010041 0.81 HPGD (0.37) HPGDRAB9A
SCHEMBL1437259 0.80 CNR1 (0.41) PARP1
SCHEMBL1437208 0.77 EGLN1 (0.35) HPGD
SCHEMBL2995161 0.77 POLB (0.41) HPGDRAB9A
SCHEMBL3008343 0.76 SMN1; SMN2 (0.41) ADORA2AADORA1HPGDRAB9A
SCHEMBL1437230 0.76 CNR1 (0.40) HPGD
SCHEMBL5806551 0.75 ALDH1A1 (0.33) HPGDRAB9A
SCHEMBL14587447 0.75 CA12 (0.40) RAB9A
SCHEMBL31634153 0.75 EGLN1 (0.49)

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-1478624-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2004-11-24 EP disclosed
WO-2003068743-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-08-21 WO disclosed