SCHEMBL29486103

SCHEMBL29486103

CC1(NC(=O)c2ccnc(Cl)c2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.44
ANO1 Q5XXA6 7/20 0.42
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PARG Q86W56 1/20 0.39
AURKA O14965 1/20 0.38
LCK P06239 1/20 0.38
MET P08581 1/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
AURKB Q96GD4 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
EGFR P00533 1/20 0.35
ATR Q13535 1/20 0.35
LATS1 O95835 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
SCHEMBL23629748 1.00 SLC6A9 (0.44) SLC6A9ANO1PDE4APDE4BPDE4C
SCHEMBL29486078 0.78 CNR2 (0.45) SLC6A9ANO1ALDH1A1HPGD
SCHEMBL23629721 0.78 CNR2 (0.45) SLC6A9ANO1ALDH1A1HPGD
SCHEMBL6180683 0.77 CASP1 (0.45) SLC6A9LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL29486120 0.73 P2RX7 (0.38) ANO1PDE4APDE4BPDE4CPDE4D
SCHEMBL23629742 0.73 P2RX7 (0.38) ANO1PDE4APDE4BPDE4CPDE4D
SCHEMBL11767152 0.72 P2RX7 (0.58) SLC6A9SMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL20255201 0.72 ANO1 (0.37) ANO1PDE4APDE4BPDE4CPDE4D
SCHEMBL30961407 0.71 SMN1; SMN2 (0.42) SLC6A9LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL6959623 0.70 SMN1; SMN2 (0.45) SLC6A9LMNASMN1; SMN2ALDH1A1HPGD

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
CN-114423741-B aryl-N-aryl derivatives for the treatment of RNA viral infections ABIVAX公司 2023-11-07 CN disclosed
EP-3999493-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2022-05-25 EP disclosed
CN-114423741-A aryl-N-aryl derivatives for the treatment of RNA viral infections ABIVAX公司 2022-04-29 CN disclosed