SCHEMBL8112301

SCHEMBL8112301

COC(=O)CC1SC(c2ccccc2OC)c2cc(Cl)ccc2NC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CDYL2 Q8N8U2 1/20 0.46
CDYL Q9Y232 1/20 0.46
LMNA P02545 1/20 0.41
EGFR P00533 1/20 0.40
MAPT P10636 4/20 0.40
TP53 P04637 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
RECQL P46063 1/20 0.40
SLC8B1 Q6J4K2 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4123403 0.91 CDYL2 (0.46) HTTHSD17B10MEN1KMT2ACDYL2
SCHEMBL4710206 0.91 CDYL2 (0.46) HTTHSD17B10MEN1KMT2ACDYL2
SCHEMBL4112411 0.91 CDYL2 (0.46) HTTHSD17B10MEN1KMT2ACDYL2
SCHEMBL4710205 0.91 CDYL2 (0.46) HTTHSD17B10MEN1KMT2ACDYL2
SCHEMBL4129636 0.91 CDYL2 (0.43) HTTHSD17B10MEN1KMT2ACDYL2
SCHEMBL4123398 0.91 CDYL2 (0.46) HTTHSD17B10MEN1KMT2ACDYL2
SCHEMBL4710208 0.91 CDYL2 (0.46) HTTHSD17B10MEN1KMT2ACDYL2
SCHEMBL4129644 0.91 CDYL2 (0.43) HTTHSD17B10MEN1KMT2ACDYL2
SCHEMBL4112406 0.91 CDYL2 (0.46) HTTHSD17B10MEN1KMT2ACDYL2
SCHEMBL4129633 0.91 CDYL2 (0.43) HTTHSD17B10MEN1KMT2ACDYL2

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-0645378-B1 Condensed seven- or eight-membered heterocyclic compounds useful as squalene synthetase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-08-23 EP disclosed
US-5698691-A ANTICHOLESTEROL AGENT; SYNTHETASE INHIBITOR; FUNGICIDE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-16 US disclosed
EP-0645378-A1 Condensed seven- or eight-membered heterocyclic compounds useful as squalene synthetase inhibitors Takeda Chemical Industries, Ltd. (JP) 1995-03-29 EP disclosed