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Sugi Predict / Compounds / SCHEMBL21900242

SCHEMBL21900242

SCHEMBL21900242

CC(C(=O)O)n1c(=O)c(-c2cccc(F)c2Cl)cn(C(c2ccccc2)c2ccccc2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 12/20 0.37
▸ CYP3A4 P08684 4/20 0.35
▸ MAPT P10636 1/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ PDK4 Q16654 1/20 0.33

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
SCHEMBL28638669 0.90 GNRHR (0.39) GNRHRCYP3A4MAPT
SCHEMBL19873738 0.82 GNRHR (0.45) GNRHRCYP3A4
SCHEMBL21900224 0.80 GNRHR (0.43) GNRHRCYP3A4
SCHEMBL17870751 0.78 GNRHR (0.44) GNRHRCYP3A4MAPT
SCHEMBL30178407 0.78 GNRHR (0.44) GNRHRCYP3A4MAPT
SCHEMBL19873886 0.78 GNRHR (0.45) GNRHRCYP3A4
SCHEMBL28649424 0.78 GNRHR (0.45) GNRHRCYP3A4
SCHEMBL30178655 0.78 GNRHR (0.45) GNRHRCYP3A4
SCHEMBL19873721 0.76 GNRHR (0.47) GNRHRCYP3A4
SCHEMBL28638744 0.76 GNRHR (0.45) GNRHRCYP3A4

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
EP-3708566-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2020-09-16 — — EP disclosed
EP-3237403-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2020-05-06 — — EP disclosed
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