SCHEMBL28295578

SCHEMBL28295578

CCOc1ccc(Br)c(OCC)c1OCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 1/20 0.42
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.38
NQO1 P15559 1/20 0.37
S1PR1 P21453 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL9196941 0.86 ALDH1A1 (0.48) HPGDSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL7124026 0.83 ALDH1A1 (0.42) LARS1HPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2123778 0.83 TUBB1 (0.40) LARS1HPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2583910 0.80 NCOA1 (0.40) LARS1HPGDSMN1; SMN2KDM4EMAPT
SCHEMBL16139478 0.77 MEN1 (0.45) HPGDSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL31096290 0.76 MAPT (0.43) HPGDSMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL21823652 0.76 MAPT (0.43) HPGDSMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL10609671 0.76 THRB (0.39) LARS1HPGDALDH1A1KDM4EMAPT
SCHEMBL1685759 0.76 HPGD (0.52) LARS1HPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL5027514 0.76 ALDH1A1 (0.42) HPGDSMN1; SMN2ALDH1A1KDM4EMAPT

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-109678645-A A kind of organic blue fluorescent material and its preparation method and application based on dianthracene 陕西师范大学 2019-04-26 CN disclosed