SCHEMBL8908736

SCHEMBL8908736

C[C@@H](CSc1nc2ccccc2s1)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NT5E P21589 11/20 0.42
P2RX3 P56373 1/20 0.40
P2RX4 Q99571 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40

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
SCHEMBL9279907 1.00 ALDH1A1 (0.44) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8907991 1.00 ALDH1A1 (0.44) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8907217 0.91 ALDH1A1 (0.57) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8908739 0.91 ALDH1A1 (0.57) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8906822 0.89 ALDH1A1 (0.46) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL9404265 0.85 ALDH1A1 (0.53) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8909878 0.85 ALDH1A1 (0.53) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL9097511 0.84 ALDH1A1 (0.49) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL9099190 0.84 ALDH1A1 (0.49) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8907044 0.83 ALDH1A1 (0.55) 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
US-5683989-A TREATMENT OF CARDIOVASCULAR AND NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1997-11-04 US disclosed
US-5484774-A 2, N6 -disubstituted adenosines, tri-O-ester derivatives and their pharmaceutical compositions to treat ischemias NOVO NORDISK A/S (DK) 1996-01-16 US disclosed