SCHEMBL6206694

SCHEMBL6206694

O=C(NCc1cccc(Cn2ccnc2)c1)c1c[nH]c2c(Cl)cccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 14/20 0.47
ADORA2A P29274 2/20 0.45
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
ELANE P08246 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6207242 0.94 ADORA2A (0.47) WDR5ADORA2AELANE
SCHEMBL6206094 0.86 SNCA (0.56) WDR5CYP11B1CYP11B2POLB
SCHEMBL6205208 0.81 CHRM3 (0.53) ADORA2APOLBRAB9A
SCHEMBL6204872 0.80 POLB (0.47) WDR5ADORA2AELANEPOLBRAB9A
SCHEMBL6205541 0.79 MEN1 (0.52) ADORA2APOLBRAB9A
SCHEMBL6205245 0.79 HPGD (0.55) ADORA2APOLBRAB9A
SCHEMBL6204032 0.79 POLB (0.68) POLBRAB9A
SCHEMBL6207258 0.79 POLB (0.51) ADORA2APOLBRAB9A
SCHEMBL6204733 0.78 SNCA (0.62) WDR5ADORA2ACYP11B1CYP11B2POLB
SCHEMBL6206374 0.74 ADORA2A (0.58) ADORA2APOLBRAB9A

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-1177177-B1 SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-02-23 EP claimed