SCHEMBL28284286

SCHEMBL28284286

C[C@H](c1cnccc1C(F)(F)F)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
RBP4 P02753 2/20 0.37
CYP11B2 P19099 3/20 0.34
CYP11B1 P15538 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
CYP17A1 P05093 1/20 0.33
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33
SSTR4 P31391 1/20 0.33
MAPT P10636 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
IDH1 O75874 2/20 0.32
ALDH1A1 P00352 1/20 0.32
IDH2 P48735 1/20 0.32
ABL1 P00519 1/20 0.32
ULK1 O75385 1/20 0.32

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
SCHEMBL28284287 1.00 GAA (0.37) GAARBP4CYP11B2CYP11B1SLC6A2
SCHEMBL28282655 0.94 GAA (0.41) GAARBP4CYP11B2CYP11B1SLC6A2
SCHEMBL28284248 0.80 GAA (0.35) GAARBP4CYP11B2CYP11B1SLC6A2
SCHEMBL12029013 0.79 RPS6KA3 (0.39) SCDSCD5ALDH1A1
SCHEMBL29435625 0.79 RPS6KA3 (0.39) SCDSCD5ALDH1A1
SCHEMBL6155126 0.77 TRPM8 (0.34) RBP4CYP11B2SCDSCD5ALDH1A1
SCHEMBL28870641 0.77 ROCK2 (0.33)
SCHEMBL28870639 0.77 ROCK2 (0.33)
SCHEMBL24988696 0.76 ALDH1A1 (0.35) GAARBP4CYP11B2SCDSCD5
SCHEMBL26272326 0.76 ALDH1A1 (0.35) GAARBP4CYP11B2SCDSCD5

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-109415358-A 6-aminopyridin-3-ylthiazoles as ROR gamma t modulators 詹森药业有限公司 2019-03-01 CN disclosed