SCHEMBL25713617

SCHEMBL25713617

CC(=O)OCCOCCOCCOc1cc(-c2nc3ccccc3s2)cc(-c2nc3ccccc3s2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.52
KDM4E B2RXH2 7/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
HPGD P15428 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 6/20 0.48
RXFP1 Q9HBX9 3/20 0.48
THRB P10828 1/20 0.48
RAB9A P51151 6/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPC1 O15118 6/20 0.46
TP53 P04637 4/20 0.46
LMNA P02545 2/20 0.46

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
SCHEMBL25713588 0.86 THRB (0.49) SMN1; SMN2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL25713616 0.85 KDM4E (0.54) SMN1; SMN2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL25713371 0.81 ALDH1A1 (0.49) SMN1; SMN2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL25713737 0.75 THRB (0.46) SMN1; SMN2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL22290160 0.74 ATP4A (0.65) SMN1; SMN2KDM4EKMT2AMEN1ALDH1A1
Spg-302 SCHEMBL20704851 0.74 ATP4A (0.59) SMN1; SMN2KDM4EKMT2AMEN1ALDH1A1
Spg-302 SCHEMBL31592047 0.74 ATP4A (0.59) SMN1; SMN2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL20715393 0.74 ATP4A (0.59) SMN1; SMN2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL31440926 0.74 ATP4A (0.59) SMN1; SMN2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL25713772 0.73 KDM4E (0.49) SMN1; SMN2KDM4EKMT2AMEN1ALDH1A1

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
WO-2023120077-A1 COMPOSITION, AND PHOTOSENSITIVE COMPOSITION 東京応化工業株式会社 2023-06-29 WO disclosed