SCHEMBL11090860

SCHEMBL11090860

O=C(O)c1nc2c3ccc(Cl)cc3[nH]c(=O)n2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 2/20 0.67
GRIA1 P42261 3/20 0.51
GRIA2 P42262 3/20 0.51
GRIA3 P42263 3/20 0.51
GRIA4 P48058 3/20 0.51
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL11090906 0.85 HAVCR2 (0.53) HAVCR2GRIA1GRIA2GRIA3GRIA4
SCHEMBL11084782 0.85 HAVCR2 (0.53) HAVCR2GRIA1GRIA2GRIA3GRIA4
SCHEMBL11082274 0.81 HAVCR2 (0.47) HAVCR2GRIA1GRIA2GRIA3GRIA4
SCHEMBL11084193 0.81 GABRP (0.64) HAVCR2KDM4EHPGD
SCHEMBL405565 0.80 HAVCR2 (1.00) HAVCR2
SCHEMBL11088234 0.80 HAVCR2 (0.67) HAVCR2CA12CA9
SCHEMBL8861987 0.79 HAVCR2 (0.46) HAVCR2GRIA1GRIA2GRIA3GRIA4
SCHEMBL11083967 0.78 HAVCR2 (0.48) HAVCR2GRIA1GRIA2GRIA3GRIA4
SCHEMBL11081150 0.77 HAVCR2 (0.53) HAVCR2
SCHEMBL11088259 0.77 HAVCR2 (0.43) HAVCR2GRIA1GRIA2GRIA3GRIA4

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-4463007-A ANTIALLERGENS BASF AKTIENGESELLSCHAFT (DE) 1984-07-31 US disclosed