SCHEMBL28367271

SCHEMBL28367271

CCCc1nc(C(F)(F)F)c(C(=O)O)s1.CCCc1nc(C(F)(F)F)c(C(=O)OCC)s1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CYP1A2 P05177 1/20 0.39
P2RY1 P47900 1/20 0.39
TRPM8 Q7Z2W7 2/20 0.38
DHODH Q02127 4/20 0.38
CDC7 O00311 2/20 0.37
DBF4 Q9UBU7 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL9643966 0.89 MAPT (0.38) ALDH1A1HPGDMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL28884279 0.88 MAPT (0.37) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL27860261 0.84 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL8507216 0.84 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL28363853 0.83 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL2150113 0.81 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL28363856 0.81 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL28225583 0.80 ALDH1A1 (0.33) ALDH1A1HPGDMAPTHSP90AA1
SCHEMBL6137641 0.79 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL2309900 0.78 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMEN1MAPT

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-107652250-B Thiazole amide compounds, and preparation method and application thereof 湖南化工研究院有限公司 2020-03-17 CN disclosed