SCHEMBL9704290

SCHEMBL9704290

O=C(O)c1nc2cc(C(F)(F)F)ccc2[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
LMNA P02545 1/20 0.55
GRIK1 P39086 1/20 0.55
GRIA1 P42261 1/20 0.55
GRIA2 P42262 1/20 0.55
GRIA3 P42263 1/20 0.55
GRIA4 P48058 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIK2 Q13002 1/20 0.55
GRIK3 Q13003 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIK4 Q16099 1/20 0.55
GRIK5 Q16478 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
PIN1 Q13526 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
SCHEMBL9705656 0.81 KDM4E (0.50) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL2361454 0.81 PIN1 (0.49) LMNAHPGDHTTPIN1EGLN1
SCHEMBL9703672 0.81 LMNA (0.59) GRIN2DGRIN3BLMNAGRIK1GRIA1
SCHEMBL9703455 0.79 GRIN2D (0.67) GRIN2DGRIN3BLMNAGRIK1GRIA1
SCHEMBL9704358 0.78 GRIN2D (0.68) GRIN2DGRIN3BLMNAGRIK1GRIA1
SCHEMBL6602090 0.75 GRIA1 (0.56) GRIN2DGRIN3BLMNAGRIK1GRIA1
SCHEMBL6606848 0.75 GRIA1 (0.56) GRIN2DGRIN3BLMNAGRIK1GRIA1
SCHEMBL2360781 0.75 HRH4 (0.51) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL5769256 0.74 PARP1 (0.41) PARP1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL3372786 0.74 MAOB (0.46) EGLN1

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