SCHEMBL28892113

SCHEMBL28892113

O=C1C=C(N(Cc2ccc(OCC=C(Cl)Cl)cc2)Cc2ccc(Cl)nc2)CO1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
TERT O14746 4/20 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
SCHEMBL29728023 0.85 ALDH1A1 (0.33) ALDH1A1
SCHEMBL230302 0.85 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3025243 0.82 L3MBTL1 (0.42) NPC1ALDH1A1RAB9ATERT
SCHEMBL28892254 0.81 MDM2 (0.34) ALDH1A1
SCHEMBL28892260 0.81 CYP1A2 (0.33) ALDH1A1
SCHEMBL28892329 0.80 AR (0.38) ALDH1A1
SCHEMBL28892355 0.79 GRM4 (0.37) HTTALDH1A1
SCHEMBL28892326 0.79 PSEN1 (0.31) ALDH1A1
SCHEMBL1801176 0.79 ALDH1A1 (0.34) ALDH1A1
SCHEMBL2893249 0.78 ALDH1A1 (0.35) ALDH1A1

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-108558841-B 4- (N, N-disubstituted) furan-2 (5H) -ketone derivative, preparation method and application thereof 贵州大学 2022-04-12 CN claimed
CN-108558841-B 4- (N, N-disubstituted) furan-2 (5H) -ketone derivative, preparation method and application thereof 贵州大学 2022-04-12 CN disclosed