SCHEMBL28307012

SCHEMBL28307012

CNC1=C(C#N)C(c2ccccc2)C2=C(CCCC2=O)O1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.71
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 6/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.45
RECQL P46063 1/20 0.45
USP2 O75604 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL28307015 0.89 GAA (0.68) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL28874980 0.88 GAA (0.67) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL28308026 0.84 GAA (0.65) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL28162015 0.83 GAA (1.00) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL28307038 0.80 GAA (0.57) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL3002780 0.71 GAA (0.78) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL6706771 0.71 GAA (0.73) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL8084149 0.71 GAA (0.67) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL28307990 0.69 GAA (0.57) GAAKMT2AALDH1A1MAPTKDM4E
SCHEMBL3002479 0.67 GAA (0.71) GAAKMT2AALDH1A1MAPTKDM4E

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
CN-106866610-B A kind of 2- amino chromene derivative N- alkylation that Lewis/Bronsted acid promotes lower alcohol to participate in 齐齐哈尔大学 2019-06-25 CN disclosed