SCHEMBL9200416

SCHEMBL9200416

CC1=CC(=O)N(CC(S)c2ccccc2N2C(=O)C=C(C)C2=O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.37
FAAH O00519 1/20 0.37
RGS12 O14924 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL9200403 0.84 MGLL (0.37) MGLLFAAHRGS12MAPTPKM
SCHEMBL9064744 0.77 MGLL (0.62) MGLLFAAHRGS12MAPTPKM
SCHEMBL7193393 0.74 TLR9 (0.48) MGLLFAAHRGS12MAPTPKM
SCHEMBL9200421 0.71 MGLL (0.37) MGLLFAAHRGS12MAPTPKM
SCHEMBL20261770 0.70 MGLL (0.59) MGLLMAPTPKMTSHR
SCHEMBL9492119 0.70 MGLL (0.60) MGLLMAPTNPSR1ALDH1A1TSHR
SCHEMBL30473083 0.70 MGLL (0.60) MGLLMAPTNPSR1ALDH1A1TSHR
SCHEMBL19301853 0.70 PTGS1 (0.36) PTGS1PTGS2
SCHEMBL31612690 0.69 MGLL (0.49) MGLLRGS12MAPTPKMNPSR1
SCHEMBL2229804 0.69 TLR9 (0.63) MGLLFAAHRGS12MAPTPKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556203-B1 (POLY)SULFIDE CONTAINING POLYCITRACONIMIDES AND POLYITACONIMIDES AKZO NOBEL NV (NL) 1995-10-11 EP disclosed
US-5405918-A Accelerators for sulfur-vulcanization of rubber; tires AKZO NOBEL N.V. (NL) 1995-04-11 US disclosed
EP-0556203-A1 (POLY)SULFIDE CONTAINING POLYCITRACONIMIDES AND POLYITACONIMIDES. AKZO NV (NL) 1993-08-25 EP disclosed
WO-1992007828-A1 (POLY)SULFIDE CONTAINING POLYCITRACONIMIDES AND POLYITACONIMIDES AKZO N.V. (NL) 1992-05-14 WO disclosed