SCHEMBL11664786

SCHEMBL11664786

O=C(NCCc1ccccc1)n1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ MAPK3 P27361 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ SQOR Q9Y6N5 1/20 0.60

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
SCHEMBL10979556 0.93 ASAH1 (0.65) ASAH1LMNACYP3A4CYP2D6MAPK3
SCHEMBL11406796 0.91 ASAH1 (0.67) ASAH1LMNACYP3A4CYP2D6MAPK3
SCHEMBL11417003 0.87 ASAH1 (0.56) ASAH1LMNACYP3A4CYP2D6MAPK3
SCHEMBL11257605 0.81 ASAH1 (0.57) ASAH1LMNACYP3A4CYP2D6MAPK3
SCHEMBL17278298 0.81 LMNA (0.69) ASAH1LMNACYP3A4CYP2D6MAPK3
SCHEMBL11601229 0.80 ASAH1 (0.80) ASAH1LMNACYP3A4CYP2D6MAPK3
SCHEMBL9664618 0.80 LMNA (0.67) ASAH1LMNACYP3A4CYP2D6MAPK3
SCHEMBL11239635 0.79 LMNA (0.70) ASAH1LMNACYP3A4CYP2D6MAPK3
SCHEMBL9666342 0.79 PABPC1 (0.55) ASAH1LMNACYP3A4CYP2D6MAPK3
SCHEMBL10631409 0.79 ASAH1 (0.53) ASAH1LMNACYP3A4CYP2D6MAPK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-53059680-A — — None — — JP disclosed
WO-2017123823-A1 ALKYL-, ACYL-, UREA-, AND AZA-URACIL SULFIDE:QUINONE OXIDOREDUCTASE INHIBITORS BIOELECTRON TECHNOLOGY CORPORATION (US) 2017-07-20 — — WO disclosed
JP-S5359680-A 1-(N-ARALKYLCARBAMOYL)-5-FLUOROURACILS AND THEIR PREPARATION MITSUI TOATSU CHEM INC 1978-05-29 — — JP disclosed
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