SCHEMBL29778151

SCHEMBL29778151

O=c1[nH]c2cc(Cl)c(Cl)cc2nc1C(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.54
GRIN3B O60391 4/20 0.54
GRIA1 P42261 4/20 0.54
GRIA2 P42262 4/20 0.54
GRIA3 P42263 4/20 0.54
GRIA4 P48058 4/20 0.54
GRIN1 Q05586 4/20 0.54
GRIN2A Q12879 4/20 0.54
GRIN2B Q13224 4/20 0.54
GRIN2C Q14957 4/20 0.54
GRIN3A Q8TCU5 4/20 0.54
LMNA P02545 2/20 0.54
GRIK1 P39086 2/20 0.54
GRIK2 Q13002 2/20 0.54
GRIK3 Q13003 2/20 0.54
GRIK4 Q16099 2/20 0.54
GRIK5 Q16478 2/20 0.54
CYP1A2 P05177 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 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
SCHEMBL29037515 1.00 GRIN2D (0.54) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL29778146 0.81 CYP11B2 (0.44) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL29037521 0.81 ALDH1A1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29778110 0.80 CYP1A2 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28778241 0.80 CYP1A2 (0.36) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL29778152 0.80 CYP1A2 (0.36) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL11370232 0.77 GRIN2D (0.62) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7345144 0.77 GRIN2D (0.62) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL29778147 0.75 KDM4E (0.49) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL29778097 0.74 MAPT (0.50) CYP1A2SMN1; SMN2KDM4EALDH1A1HPGD

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
CN-114685384-B Difluoromethyl reaction method and application thereof 深圳大学 2023-07-14 CN disclosed
CN-114685384-A Difluoromethyl reaction method and application thereof 深圳大学 2022-07-01 CN disclosed