SCHEMBL8894971

SCHEMBL8894971

CC(C)S(=O)(=O)Nc1c[c]ccc1C#N

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.38
GRIA4 P48058 2/20 0.34
GRIA1 P42261 2/20 0.34
GRIA2 P42262 2/20 0.34
GRIA3 P42263 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC22A12 Q96S37 2/20 0.32
NR3C1 P04150 1/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL2894165 0.75 MAPT (0.38) NR3C1LMNA
SCHEMBL6591695 0.75 PGR (0.33) PGR
SCHEMBL5842748 0.75 PGR (0.33) PGRSLC22A12NR3C1
SCHEMBL5674094 0.69 ALDH1A1 (0.42) L3MBTL1
SCHEMBL2534892 0.69 PGR (0.45) PGRGRIA4NR3C1LMNA
SCHEMBL1419228 0.67 KDM1A (0.39) PGRGRIA4GRIA2NR3C1LMNA
SCHEMBL6967553 0.66 ALDH1A1 (0.37)
SCHEMBL27962934 0.66 ALDH1A1 (0.41) LMNA
SCHEMBL2103632 0.65 LRRK2 (0.36) L3MBTL1LMNA
SCHEMBL408050 0.62 TSHR (0.33)

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
WO-1997026248-A1 SUBSTITUTED N-ARYL NITROGEN HETEROCYCLIC COMPOUNDS AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-24 WO disclosed