SCHEMBL28162015

SCHEMBL28162015

N#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 1.00
ALDH1A1 P00352 5/20 0.65
TSHR P16473 1/20 0.65
MAPT P10636 3/20 0.65
KDM4E B2RXH2 2/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
HPGD P15428 1/20 0.61
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.56
MET P08581 1/20 0.56

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
SCHEMBL3002780 0.88 GAA (0.78) GAAALDH1A1TSHRMAPTKDM4E
SCHEMBL6706771 0.84 GAA (0.73) GAAALDH1A1TSHRMAPTKDM4E
SCHEMBL3002479 0.83 GAA (0.71) GAAALDH1A1TSHRMAPTKDM4E
SCHEMBL28307012 0.83 GAA (0.71) GAAALDH1A1TSHRMAPTKDM4E
SCHEMBL18719845 0.81 GAA (0.69) GAAALDH1A1TSHRMAPTKDM4E
SCHEMBL3004197 0.81 GAA (0.69) GAAALDH1A1TSHRMAPTKDM4E
SCHEMBL28307015 0.81 GAA (0.68) GAAALDH1A1TSHRMAPTKDM4E
SCHEMBL3007061 0.81 ALDH1A1 (0.68) GAAALDH1A1TSHRMAPTKDM4E
SCHEMBL28874980 0.80 GAA (0.67) GAAALDH1A1TSHRMAPTKDM4E
SCHEMBL8084149 0.80 GAA (0.67) GAAALDH1A1TSHRMAPTKDM4E

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
CN-107216305-B Benzopyran compounds and application thereof 中国人民解放军第四军医大学 2020-05-08 CN disclosed
CN-107216305-A Benzopyran class compound and its application 中国人民解放军第四军医大学 2017-09-29 CN disclosed