SCHEMBL6280586

SCHEMBL6280586

C=CCNNS(=O)(=O)CCCCC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.40
RELA Q04206 4/20 0.35
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CA2 P00918 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
SCHEMBL980444 0.81 RELA (0.44) FAAHRELATSHRMEN1ALDH1A1
SCHEMBL10481393 0.79 FAAH (0.38) FAAHRELATSHRMEN1ALDH1A1
SCHEMBL4565920 0.77 FAAH (0.50) FAAHRELACA2
SCHEMBL28075544 0.76 FAAH (0.46) FAAHRELAMEN1ALDH1A1LMNA
SCHEMBL461711 0.76 RELA (0.46) FAAHRELATSHRALDH1A1CA2
SCHEMBL8518454 0.73 FAAH (0.50) FAAHTSHRALDH1A1MAPT
SCHEMBL9851083 0.72 RELA (0.39) FAAHRELAMEN1ALDH1A1LMNA
SCHEMBL8679501 0.72 FAAH (0.38) FAAHRELATSHRMEN1ALDH1A1
SCHEMBL1325482 0.71 CA12 (0.31) CA2
SCHEMBL11755607 0.71 FAAH (0.45) FAAHRELAMEN1ALDH1A1LMNA

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-2005011697-A2 SULFONAMIDE DERIVATIVES WITH ACTIVITY ON PROTEIN KINASE A AND B ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 WO disclosed