SCHEMBL8396236

SCHEMBL8396236

COC(=O)OC1=C(C)OC(N)=C(C#N)C1c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
HSD17B10 Q99714 3/20 0.54
MAPT P10636 8/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 3/20 0.49
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
HTT P42858 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 2/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL8397517 0.89 ALDH1A1 (0.54) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL8761756 0.88 ALDH1A1 (0.53) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL8397510 0.88 ALDH1A1 (0.69) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL8395766 0.88 ALDH1A1 (0.48) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL8393774 0.87 ALDH1A1 (0.60) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL8392739 0.86 ALDH1A1 (0.51) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL8034242 0.83 HPGD (0.47) ALDH1A1HSD17B10KDM4ENPSR1L3MBTL1
SCHEMBL8381158 0.82 ALDH1A1 (0.78) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL8395936 0.81 KDM4E (0.49) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL8762207 0.78 ALDH1A1 (0.55) ALDH1A1HSD17B10MAPTMEN1KMT2A

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
EP-0777663-B1 USE OF SUBSTITUTED 6-AMINO-4H-PYRANS BAYER AG (DE) 1999-05-26 EP claimed