SCHEMBL9846290

SCHEMBL9846290

CCc1cc(NCc2cc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL9846102 0.80 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
L-697661 SCHEMBL29456987 0.79 FABP4 (0.34) MAPT
L-697661 SCHEMBL599639 0.79 FABP4 (0.34) MAPT
SCHEMBL9661494 0.78 MEN1 (0.34) GAAMAPT
SCHEMBL9846179 0.77 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9171193 0.76 FABP4 (0.34)
SCHEMBL9168366 0.75 MTNR1A (0.37)
SCHEMBL9846094 0.71 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9846277 0.70 ALDH1A1 (0.46) GAAMAPT
SCHEMBL9166348 0.70 IDH1 (0.37)

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-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed