SCHEMBL29796567

SCHEMBL29796567

Clc1cccc(-c2ncccc2Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORB Q92753 2/20 0.63
KCNA5 P22460 3/20 0.50
KCNN4 O15554 1/20 0.48
TDO2 P48775 1/20 0.48
IDO1 P14902 2/20 0.47
TGFBR1 P36897 2/20 0.45
TGFBR2 P37173 1/20 0.45
NOTUM Q6P988 1/20 0.44
BACE1 P56817 1/20 0.44
CYP19A1 P11511 1/20 0.44
PDE4D Q08499 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
NPY5R Q15761 2/20 0.43
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 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
SCHEMBL23581979 0.82 RORB (0.54) RORBKCNA5KCNN4TDO2IDO1
SCHEMBL29865338 0.82 RORB (0.54) RORBKCNA5KCNN4TDO2IDO1
SCHEMBL15638862 0.81 RORB (0.46) RORBTGFBR1TGFBR2NPY5R
SCHEMBL1968903 0.81 RORB (0.52) RORBKCNA5KCNN4TDO2IDO1
SCHEMBL15637672 0.80 RORB (0.55) RORBKCNA5KCNN4TDO2IDO1
SCHEMBL2975854 0.79 CNR2 (0.46) RORBKCNA5
SCHEMBL16046611 0.79 KCNA5 (0.59) RORBKCNA5KCNN4TDO2IDO1
SCHEMBL5093163 0.79 KCNA5 (0.60) RORBKCNA5KCNN4TDO2IDO1
SCHEMBL18447962 0.78 RORB (0.49) RORBKCNA5KCNN4TDO2IDO1
SCHEMBL31223211 0.78 CNR2 (0.45) RORBKCNA5

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-110903238-B Preparation method of kovar stat 广东东阳光药业有限公司 2022-05-27 CN disclosed