SCHEMBL8890952

SCHEMBL8890952

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccccc1Cc1ccc(SC)cc1SC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
HCRTR2 O43614 2/20 0.33
CFTR P13569 1/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
FTO Q9C0B1 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL8892752 0.91 ALDH1A1 (0.38) ALDH1A1HCRTR2LMNATSHRNPSR1
SCHEMBL8891083 0.84 HTT (0.40) ALDH1A1HCRTR2LMNATSHRNPSR1
SCHEMBL8890586 0.84 ALDH1A1 (0.37) ALDH1A1HCRTR2TSHRNPSR1HTT
SCHEMBL8892822 0.84 HTT (0.34) ALDH1A1HCRTR2LMNATSHRNPSR1
SCHEMBL8891053 0.84 KMT2A (0.33) ALDH1A1HCRTR2LMNATSHRNPSR1
SCHEMBL8890606 0.82 HTT (0.37) ALDH1A1HCRTR2LMNATSHRNPSR1
SCHEMBL8891977 0.82 MAPT (0.38) ALDH1A1LMNATSHRNPSR1HPGD
SCHEMBL9116296 0.82 TSHR (0.36) ALDH1A1HCRTR2LMNATSHRHTT
SCHEMBL8492575 0.82 ALDH1A1 (0.39) ALDH1A1CFTRLMNATSHRHTT
SCHEMBL8891811 0.81 MAPT (0.38) ALDH1A1HCRTR2LMNATSHRNPSR1

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-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed