SCHEMBL9851722

SCHEMBL9851722

O=c1[nH]cnc2c1cnn2[C@@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTR1A P08908 1/20 0.38
IP6K1 Q92551 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
TACR2 P21452 1/20 0.37
CYP1A2 P05177 1/20 0.37
SLC28A2 O43868 1/20 0.37
TYMP P19971 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BCHE P06276 1/20 0.35
SLC29A1 Q99808 1/20 0.35
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL9851724 0.93 MEN1 (0.49) MAPTMEN1KMT2AADORA2AADORA2B
SCHEMBL9851826 0.93 MEN1 (0.47) MAPTMEN1KMT2AADORA2AADORA2B
SCHEMBL9851796 0.85 MAPT (0.44) MAPTMEN1KMT2AHTR1ATACR2
SCHEMBL9851822 0.84 MAPT (0.44) MAPTMEN1KMT2AHTR1ATACR2
SCHEMBL9851809 0.82 MAPT (0.46) MAPTMEN1KMT2AIP6K1ADORA2A
SCHEMBL9851742 0.81 ALDH1A1 (0.40) MAPTMEN1KMT2ASLC28A2TYMP
SCHEMBL9851718 0.79 HSPA5 (0.48) MAPTMEN1KMT2ATYMP
SCHEMBL9851790 0.77 ALDH1A1 (0.42) MAPTMEN1KMT2ASLC28A2ALDH1A1
SCHEMBL9851819 0.77 ALDH1A1 (0.42) MAPTMEN1KMT2ATYMPALDH1A1
SCHEMBL9851859 0.77 ALDH1A1 (0.39) MAPTMEN1KMT2ASLC28A2TYMP

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