SCHEMBL11833971

SCHEMBL11833971

CCSc1cccc(N2C(=O)C=CC2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 15/20 0.58
FAAH O00519 5/20 0.58
HSP90AA1 P07900 4/20 0.54
ALDH1A1 P00352 2/20 0.49
PKM P14618 2/20 0.49
HTT P42858 2/20 0.49
ATM Q13315 1/20 0.49
HPN P05981 1/20 0.45
CCR6 P51684 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL11832953 0.84 MGLL (0.53) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL11828354 0.82 MGLL (0.50) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL11835741 0.81 MGLL (0.64) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL1827631 0.81 NR1H3 (0.53) ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL15875971 0.80 MGLL (0.69) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL486825 0.80 MGLL (0.69) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL1838889 0.75 MGLL (1.00) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL94730 0.75 MGLL (1.00) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL3482931 0.74 MGLL (1.00) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL30958998 0.73 MGLL (0.95) MGLLFAAHHSP90AA1ALDH1A1PKM

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
US-3985894-A Method of controlling rice blast with N-(alkylthiophenyl)maleimides THE DOW CHEMICAL COMPANY (US) 1976-10-12 US disclosed