SCHEMBL28285013

SCHEMBL28285013

COCNc1ccc(C)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 3/20 0.43
ALOX15 P16050 2/20 0.43
THRB P10828 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGER4 P35408 3/20 0.42
SLC6A4 P31645 1/20 0.42
APP P05067 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CA1 P00915 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 3/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
PLEC Q15149 1/20 0.37

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
SCHEMBL740982 0.80 PTGER4 (0.61) HDAC6ALDH1A1CYP3A4SMN1; SMN2PTGER4
SCHEMBL2722710 0.79 ALDH1A1 (0.56) HDAC6ALDH1A1CYP3A4TDP1ALOX15
SCHEMBL124591 0.77 HDAC6 (0.71) HDAC6ALDH1A1CYP3A4TDP1ALOX15
SCHEMBL3637289 0.76 HDAC6 (0.59) HDAC6ALDH1A1CYP3A4TDP1ALOX15
SCHEMBL19540834 0.74 GAA (0.61) ALDH1A1CYP3A4TDP1SMN1; SMN2KDM4E
SCHEMBL10249397 0.74 HDAC6 (0.50) HDAC6ALDH1A1CYP3A4TDP1ALOX15
SCHEMBL1497919 0.74 HDAC6 (0.58) HDAC6ALDH1A1CYP3A4TDP1ALOX15
SCHEMBL7137884 0.73 HDAC6 (0.65) HDAC6CYP3A4TDP1ALOX15THRB
SCHEMBL20810715 0.73 HDAC6 (0.52) HDAC6ALDH1A1CYP3A4TDP1ALOX15
SCHEMBL9759453 0.72 HDAC6 (0.55) HDAC6ALDH1A1CYP3A4PTGER4SLC6A4

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-109481427-A Application of the compound FC-99 in preparation prevention or treatment acute hepatic failure drug 南京大学 2019-03-19 CN disclosed