SCHEMBL8856571

SCHEMBL8856571

CCCCCCCCC(CCCCCC)C(=S)Nc1c(OC)ncnc1Sc1ccc(OC)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
MAPT P10636 3/20 0.36
KDM1A O60341 1/20 0.35
MMP9 P14780 5/20 0.34
MMP13 P45452 5/20 0.34
ADAM17 P78536 5/20 0.34
MMP1 P03956 4/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
PTGIR P43119 1/20 0.32
GAA P10253 3/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL8856367 0.84 ALDH1A1 (0.35) MAPTMMP9MMP13ADAM17MMP1
SCHEMBL8856912 0.83
SCHEMBL8856157 0.83 SOAT1 (0.30)
SCHEMBL8856312 0.83 PRSS1 (0.33) MAPTLMNAMEN1KMT2A
SCHEMBL8856075 0.83 PAK1 (0.34) ALDH1A1ALOX12
SCHEMBL9412772 0.79 HTT (0.38) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL8856450 0.79
SCHEMBL8856281 0.78
SCHEMBL8856212 0.77 NPSR1 (0.37) MAPTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL8856080 0.76 CYP1A2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656634-A N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1997-08-12 US disclosed
US-5362878-A Intermediates for making N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1994-11-08 US disclosed
EP-0609960-A1 New N-heteroarylamide derivatives as inhibitors of acyl coenzyme A: cholestrol acyl transferase PFIZER INC. (US) 1994-08-10 EP disclosed
EP-0418071-A2 New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase PFIZER INC. (US) 1991-03-20 EP disclosed