SCHEMBL8820179

SCHEMBL8820179

O=C(OC[C@H]1O[C@@H](n2cnc3c(NOCCc4ccccc4)nc(Cl)nc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ADORA1 P30542 4/20 0.49
NT5E P21589 9/20 0.48
ADORA3 P0DMS8 3/20 0.46
ADORA2A P29274 2/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
P2RX3 P56373 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX2 Q9UBL9 1/20 0.44

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
SCHEMBL9404051 0.92 ALDH1A1 (0.51) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8819182 0.92 ALDH1A1 (0.51) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8817593 0.86 ALDH1A1 (0.50) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8327419 0.85 ALDH1A1 (0.53) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL23436497 0.84 LMNA (0.69) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL15679138 0.84 LMNA (0.69) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8818839 0.84 LMNA (0.69) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL9080632 0.83 ALDH1A1 (0.51) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL9404265 0.83 ALDH1A1 (0.53) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8909878 0.83 ALDH1A1 (0.53) ALDH1A1LMNATP53MAPTTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997033591-A1 A METHOD OF TREATING DISORDERS RELATED TO CYTOKINES IN MAMMALS NOVO NORDISK A/S (DK) 1997-09-18 WO disclosed
US-5430027-A 2-chloro-N6 -substituted adenosines, their pharmaceutical compositions, and activity in treating ischemias NOVO NORDISK A/S (DK) 1995-07-04 US disclosed