SCHEMBL22927808

SCHEMBL22927808

O=Cc1cccnc1-c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORB Q92753 1/20 0.52
KCNA5 P22460 3/20 0.46
KCNN4 O15554 1/20 0.46
NFE2L2 Q16236 1/20 0.46
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
TGFBR1 P36897 2/20 0.43
TGFBR2 P37173 1/20 0.43
TDO2 P48775 1/20 0.43
PDE4A P27815 4/20 0.42
PDE4D Q08499 4/20 0.42
PDE4C Q08493 3/20 0.42
BACE1 P56817 1/20 0.42
IDO1 P14902 1/20 0.42
JAK2 O60674 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL29434795 1.00 RORB (0.52) RORBKCNA5KCNN4NFE2L2TRIM24
SCHEMBL1860954 0.87 TRIM24 (0.46) RORBKCNA5KCNN4NFE2L2TRIM24
SCHEMBL29000590 0.84 RORB (0.49) RORBKCNA5KCNN4NFE2L2TGFBR1
SCHEMBL19154063 0.81 TRIM24 (0.47) NFE2L2TRIM24TRIM33TDO2IDO1
SCHEMBL4650076 0.79 TRIM24 (0.52) TRIM24TRIM33IDO1
Hydrazine SCHEMBL29217437 0.79 TRIM24 (0.44) NFE2L2TRIM24TRIM33TDO2IDO1
SCHEMBL13556434 0.78 KCNA5 (0.39) KCNA5NFE2L2TRIM24TRIM33TGFBR1
SCHEMBL29796567 0.78 RORB (0.63) RORBKCNA5KCNN4TGFBR1TGFBR2
SCHEMBL13388270 0.77 KCNA5 (0.48) KCNA5TRIM24TRIM33TDO2
SCHEMBL4051215 0.77 DYRK1A (0.55) KCNA5NFE2L2PDE4APDE4DPDE4C

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
WO-2021016317-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. (US) 2021-01-28 WO disclosed