SCHEMBL20108682

SCHEMBL20108682

CC(=O)Nc1cc(F)c(-c2ccc([SH](C)(=O)S)cc2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
IDO1 P14902 3/20 0.38
RORC P51449 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
PYGL P06737 1/20 0.37
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABL1 P00519 2/20 0.36
TDO2 P48775 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EGFR P00533 1/20 0.35
FYN P06241 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL20108681 0.79 PTGS2 (0.47) MEN1ALDH1A1MAPTKMT2AIDO1
SCHEMBL16014751 0.78 IDO1 (0.50) MEN1KMT2AIDO1RORC
SCHEMBL15544520 0.67 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AIDO1
SCHEMBL6474667 0.66 MEN1 (0.75) MEN1ALDH1A1MAPTKMT2AIDO1
SCHEMBL17601523 0.66 IDO1 (0.65) MEN1ALDH1A1MAPTKMT2AIDO1
SCHEMBL30623277 0.66 IDO1 (0.65) MEN1ALDH1A1MAPTKMT2AIDO1
Hydrochloric Acid SCHEMBL27827876 0.65 MEN1 (0.73) MEN1ALDH1A1MAPTKMT2AIDO1
Hydrochloric Acid SCHEMBL27827875 0.65 IDO1 (0.63) MEN1ALDH1A1MAPTKMT2AIDO1
SCHEMBL20535682 0.63 LMNA (0.56) MEN1ALDH1A1MAPTKMT2AIDO1
SCHEMBL12459282 0.63 LMNA (0.56) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2

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
EP-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 EP disclosed