SCHEMBL9851703

SCHEMBL9851703

O=c1[nH]cnc2c1cnn2[C@@H]1O[C@H](COCc2ccccc2)C[C@H]1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.39
HRH4 Q9H3N8 4/20 0.39
HRH3 Q9Y5N1 4/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IP6K1 Q92551 1/20 0.35
PDE2A O00408 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
PDE9A O76083 3/20 0.34
PDE1C Q14123 2/20 0.34
HTR1A P08908 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TYMP P19971 1/20 0.34
HPRT1 P00492 1/20 0.34
STING1 Q86WV6 1/20 0.33

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
SCHEMBL9851809 0.91 MAPT (0.46) MAPTLMNAMEN1KMT2AIP6K1
SCHEMBL9851711 0.88 MAPT (0.45) MAPTLMNAHRH4HRH3MEN1
SCHEMBL9851793 0.80 ALDH1A1 (0.37) MAPTLMNAMEN1KMT2APDE9A
SCHEMBL9851822 0.80 MAPT (0.44) MAPTMEN1KMT2APDE2ABCHE
SCHEMBL9851796 0.80 MAPT (0.44) MAPTMEN1KMT2APDE2ABCHE
SCHEMBL9851718 0.79 HSPA5 (0.48) MAPTMEN1KMT2APDE2ATYMP
SCHEMBL9851704 0.77 ALDH1A1 (0.39) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL9851722 0.75 MAPT (0.47) MAPTMEN1KMT2AIP6K1BCHE
SCHEMBL9851820 0.74 ALDH1A1 (0.39) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL9851757 0.74 ALDH1A1 (0.40) MAPTLMNAMEN1KMT2AALDH1A1

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
EP-0450102-A1 NUCLEOSIDE DERIVATIVE Yamasa Shoyu Kabushiki Kaisha (JP) 1991-10-09 EP disclosed