SCHEMBL8666340

SCHEMBL8666340

CCOP(=O)(Cc1ccc(C(=S)Nc2nc3c(s2)COc2ccc(F)cc2-3)cc1)OCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPY5R Q15761 10/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
MPL P40238 1/20 0.36
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL8665781 0.92 MAPT (0.46) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8667672 0.88 MAPT (0.40) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8671972 0.85 ALDH1A1 (0.40) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8670705 0.81 NPY5R (0.35) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8671324 0.80 MPL (0.47) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8667772 0.79 ADORA1 (0.46) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8666532 0.76 MAPT (0.52) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8666187 0.74 MAPT (0.37) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8669604 0.72 PKM (0.38) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8673476 0.70 CCNT1 (0.36) MAPTKDM4EALDH1A1MEN1KMT2A

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-0638581-B1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMA CO LTD (JP) 1998-12-23 EP disclosed
US-5480874-A THIAZOLE AND IMIDAZOLE DERIVATIVES; ANTIHYPERLIPIDEMICS AND HYPOGLYCEMICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-01-02 US disclosed
EP-0638581-A1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1995-02-15 EP disclosed