SCHEMBL9851819

SCHEMBL9851819

O=c1[nH]cnc2c1cnn2[C@@H]1O[C@H](CO)[C@@H](O[SiH3])[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
ATG7 O95352 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
STING1 Q86WV6 1/20 0.38
P2RX3 P56373 1/20 0.36
MAPT P10636 1/20 0.36
NT5E P21589 2/20 0.35
ALB P02768 1/20 0.35
MAPK1 P28482 1/20 0.35
PNP P00491 1/20 0.35
HPRT1 P00492 1/20 0.35
TYMP P19971 1/20 0.35
ADA P00813 1/20 0.34
PAX8 Q06710 1/20 0.34
ADK P55263 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
SCHEMBL9851790 0.92 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAPOLBATG7
SCHEMBL9851742 0.92 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAPOLBATG7
SCHEMBL9851728 0.91 ATG7 (0.43) ALDH1A1SMN1; SMN2LMNAPOLBATG7
SCHEMBL6912039 0.87 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAPOLBATG7
SCHEMBL1144829 0.87 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAPOLBATG7
SCHEMBL6912032 0.87 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAPOLBATG7
SCHEMBL9851747 0.85 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2LMNAPOLBATG7
SCHEMBL9851884 0.84 ATG7 (0.43) ALDH1A1ATG7MEN1KMT2ASTING1
SCHEMBL9851826 0.84 MEN1 (0.47) ALDH1A1SMN1; SMN2LMNAPOLBATG7
SCHEMBL9851743 0.83 ATG7 (0.52) ALDH1A1SMN1; SMN2LMNAPOLBATG7

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