SCHEMBL9404265

SCHEMBL9404265

C[C@H](CO)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NT5E P21589 10/20 0.52
ADORA1 P30542 1/20 0.48

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
SCHEMBL8909878 1.00 ALDH1A1 (0.53) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8909939 0.89 ALDH1A1 (0.48) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8327419 0.87 ALDH1A1 (0.53) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8906822 0.86 ALDH1A1 (0.46) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8907991 0.85 ALDH1A1 (0.44) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL9279907 0.85 ALDH1A1 (0.44) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8908736 0.85 ALDH1A1 (0.44) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL23436497 0.85 LMNA (0.69) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8818839 0.85 LMNA (0.69) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL15679138 0.85 LMNA (0.69) 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
EP-0603348-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-06-29 EP disclosed
WO-1993023418-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-11-25 WO disclosed