SCHEMBL9703450

SCHEMBL9703450

C=CCOc1nc2cc(Cl)c(Cl)cc2nc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIK1 P39086 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIK2 Q13002 1/20 0.42
GRIK3 Q13003 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIK4 Q16099 1/20 0.42
GRIK5 Q16478 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL9703948 0.89 ATM (0.37) GAATSHRLMNAGRIN2DGRIN3B
SCHEMBL9704210 0.83 PGK1 (0.36) GAATSHRLMNAGRIN2DGRIN3B
SCHEMBL9703518 0.82 GAA (0.47) GAATSHRLMNAGRIN2DGRIN3B
SCHEMBL9703856 0.74 GRIN2D (0.49) LMNAGRIN2DGRIN3BGRIK1GRIA1
SCHEMBL9705817 0.74 HIF1A (0.31) GAAATMHIF1AALDH1A1
6,7-Dichloro-3-Hydroxy-2-Quinoxalinecarboxylic Acid SCHEMBL4287210 0.69 GRIN2D (0.53) TSHRLMNAGRIN2DGRIN3BGRIK1
SCHEMBL3472930 0.67 PLAU (0.58) GAATSHRLMNAMEN1KMT2A
SCHEMBL12076324 0.66 MAPT (0.44) GAATSHRMAPTHIF1ASMN1; SMN2
SCHEMBL25381282 0.66 CFTR (0.47)
SCHEMBL31208042 0.66 CFTR (0.47)

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
WO-1992011245-A1 2-ACYLAMIDO DERIVATIVES OF 3,4-DIHYDRO-3-OXO-QUINOXALINE HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-07-09 WO disclosed