SCHEMBL10620598

SCHEMBL10620598

COc1ccc(CC(=O)Cl)c(F)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 1/20 0.39
TUBB1 Q9H4B7 2/20 0.39
PDE4D Q08499 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGER1 P34995 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL10618516 0.85 HSD17B10 (0.53) MEP1BKDM4ETDP1MAPTTUBB1
SCHEMBL1461671 0.85 KDM4E (0.49) KDM4ETDP1MAPTPDE4DMEN1
SCHEMBL10680843 0.81 KDM4E (0.40) KDM4ETDP1MAPTPDE4DMEN1
SCHEMBL17462499 0.79 SMN1; SMN2 (0.45) MAPTMEN1KMT2ASMN1; SMN2CA1
SCHEMBL31287934 0.79 MEP1B (0.43) MEP1BPDE4D
SCHEMBL11289422 0.78 ALDH1A1 (0.45) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6353960 0.78 AOC3 (0.41) MEP1BKDM4EMAPTSMN1; SMN2LMNA
SCHEMBL7274336 0.78 PDE4A (0.42) MEP1BKDM4ETDP1MAPTTUBB1
SCHEMBL3658261 0.77 HSD17B10 (0.50) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL2532788 0.77 KMT2A (0.49) KDM4EMAPTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0209275-B1 BENZ-TRISUBSTITUTED 2-AMINOTETRALINS SMITHKLINE BECKMAN CORPORATION (US) 1988-10-19 EP disclosed
EP-0209275-A1 Benz-trisubstituted 2-aminotetralins SMITHKLINE BECKMAN CORPORATION (US) 1987-01-21 EP disclosed