SCHEMBL28070522

SCHEMBL28070522

Nc1nc(C(F)(F)F)c(C(=O)Cl)s1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HPGD P15428 1/20 0.41
RORB Q92753 10/20 0.36
RORC P51449 1/20 0.36
MAPT P10636 4/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL874572 0.83 ALDH1A1 (0.41) ALDH1A1HPGDRORBRORCMAPT
SCHEMBL11330712 0.83 ALDH1A1 (0.41) ALDH1A1HPGDRORBRORCMAPT
SCHEMBL4526608 0.81 ALDH1A1 (0.44) ALDH1A1HPGDRORBRORCMAPT
SCHEMBL2310145 0.79 MEN1 (0.49) ALDH1A1HPGDMAPTPOLBMEN1
SCHEMBL6137447 0.79 MAPT (0.37) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL883065 0.79 MAPT (0.37) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL2199155 0.78 MAPT (0.56) ALDH1A1HPGDMAPTPOLBMEN1
SCHEMBL6114165 0.77 ALDH1A1 (0.41) ALDH1A1HPGDRORBRORCMAPT
SCHEMBL27687091 0.77 ALDH1A1 (0.48) ALDH1A1HPGDRORBRORCMAPT
SCHEMBL11162259 0.75 ALDH1A1 (0.52) ALDH1A1HPGDRORBRORCMAPT

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-105753808-B Thiazole amide compounds, and preparation method and application thereof 湖南化工研究院有限公司 2018-06-05 CN disclosed
CN-105753808-A Thiazole amide compounds, and preparation method and application thereof 湖南化工研究院有限公司 2016-07-13 CN disclosed