SCHEMBL8570208

SCHEMBL8570208

O=C(CSc1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl)OCC1CCCO1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.31
HTR7 P34969 1/20 0.31
MAPK1 P28482 1/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 1/20 0.31
GAA P10253 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9824563 0.84 GAA (0.37) HPGDKMT2AMEN1TP53POLB
SCHEMBL9824569 0.84 GAA (0.37) HPGDKMT2AMEN1TP53POLB
SCHEMBL8562171 0.83 ALDH1A1 (0.32) HPGDTP53POLBCYP1A2CYP2C19
SCHEMBL9824975 0.83 PPOX (0.36) HPGDLMNACYP1A2CYP2C19ALDH1A1
SCHEMBL9824983 0.83 PPOX (0.36) HPGDLMNACYP1A2CYP2C19ALDH1A1
SCHEMBL9551231 0.83 ALDH1A1 (0.36) HPGDKMT2AMEN1TP53LMNA
Fluthiacetmethyl SCHEMBL8437784 0.82 KMT2A (0.35) HPGDKMT2AMEN1TP53POLB
Fluthiacetmethyl SCHEMBL9048322 0.82 KMT2A (0.35) HPGDKMT2AMEN1TP53POLB
Fluthiacetmethyl SCHEMBL39080 0.82 KMT2A (0.35) HPGDKMT2AMEN1TP53POLB
SCHEMBL8562796 0.81 ALDH1A1 (0.34) TP53CYP1A2CYP2C19ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548593-B1 Tetrahydrofuran derivative and herbicide containing the same as effective ingredient MITSUBISHI CHEM CORP (JP) 1998-04-22 EP disclosed
US-5405828-A Selective pre- and postemergence herbicides MITSUBISHI KASEI CORPORATION (JP) 1995-04-11 US disclosed
EP-0548593-A1 Tetrahydrofuran derivative and herbicide containing the same as effective ingredient Mitsubishi Chemical Corporation (JP) 1993-06-30 EP disclosed