SCHEMBL28205154

SCHEMBL28205154

CCC#Cc1ccc2[nH]ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.56
IMPDH1 P20839 1/20 0.56
GFER P55789 1/20 0.53
APP P05067 1/20 0.48
GRIN1 Q05586 1/20 0.47
AHR P35869 3/20 0.43
NR4A2 P43354 2/20 0.43
CYP2A6 P11509 2/20 0.43
F7 P08709 1/20 0.43
LTA4H P09960 1/20 0.43
F3 P13726 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
RAD51 Q06609 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA10 Q9GZZ6 1/20 0.42

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
SCHEMBL28205632 0.86 ACACB (0.47) IMPDH2IMPDH1GFERAPPGRIN1
SCHEMBL566349 0.82 IMPDH2 (0.47) IMPDH2IMPDH1GFERAPPGRIN1
SCHEMBL1063027 0.79 IMPDH2 (0.51) IMPDH2IMPDH1GFERAPPGRIN1
SCHEMBL30906888 0.76 IMPDH2 (0.56) IMPDH2IMPDH1GFERAPPGRIN1
SCHEMBL27893006 0.76 IMPDH2 (0.56) IMPDH2IMPDH1GFERAPPGRIN1
SCHEMBL17761613 0.76 CA12 (0.51) MAPT
SCHEMBL1080464 0.75 GFER (0.69) IMPDH2IMPDH1GFERAPPGRIN1
SCHEMBL3486361 0.74 GRM5 (0.49)
SCHEMBL28319149 0.74 IMPDH2 (0.46) IMPDH2IMPDH1GFERAPPGRIN1
SCHEMBL1022178 0.73 IMPDH2 (0.53) IMPDH2IMPDH1GFERAPPGRIN1

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-107848964-A EBNA1 inhibitors and methods of using the same 威斯塔解剖学和生物学研究所 2018-03-27 CN claimed
CN-107848964-A EBNA1 inhibitors and methods of using the same 威斯塔解剖学和生物学研究所 2018-03-27 CN disclosed