SCHEMBL28689293

SCHEMBL28689293

O=Cc1cccnc1OCC(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCRTR2 O43614 8/20 0.37
HCRTR1 O43613 7/20 0.37
TRPV4 Q9HBA0 1/20 0.36
MKNK2 Q9HBH9 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSP90AA1 P07900 1/20 0.35
IDO1 P14902 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL16114579 0.79 TRPV4 (0.53) TRIM24TRIM33ALDH1A1HPGDHTT
SCHEMBL16305577 0.78 TRIM24 (0.46) TRIM24TRIM33ALDH1A1HPGDHTT
SCHEMBL29953656 0.77 ALDH1A1 (0.51) TRIM24TRIM33ALDH1A1HPGDHTT
SCHEMBL871969 0.77 ALDH1A1 (0.51) TRIM24TRIM33ALDH1A1HPGDHTT
SCHEMBL29118011 0.77 TRIM24 (0.44) TRIM24TRIM33ALDH1A1HPGDHTT
SCHEMBL2600011 0.77 TRIM24 (0.44) TRIM24TRIM33ALDH1A1HPGDHTT
SCHEMBL29366504 0.77 TRIM24 (0.44) TRIM24TRIM33ALDH1A1HPGDHTT
SCHEMBL3687846 0.75 TRIM24 (0.46) TRIM24TRIM33ALDH1A1HPGDHTT
SCHEMBL16096639 0.75 TRIM24 (0.46) TRIM24TRIM33ALDH1A1HPGDHTT
SCHEMBL16174927 0.74 RXRA (0.41) ALDH1A1SMN1; SMN2HCRTR2HCRTR1TRPV4

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
CN-109988169-B Octahydropyrrolo [3,4-c ] pyrrole derivatives and uses thereof 广东东阳光药业有限公司 2022-02-01 CN disclosed