SCHEMBL11040775

SCHEMBL11040775

C[C@H]1O[C@@H](N2CN(NC(CCN)CCCCCCCN)c3c(N)ncnc32)C(O)C1O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRM P19623 5/20 0.37
SMS P52788 2/20 0.37
HSPA8 P11142 1/20 0.36
ADK P55263 11/20 0.36
FBP1 P09467 1/20 0.33

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
SCHEMBL11037778 1.00 SRM (0.37) SRMSMSHSPA8ADKFBP1
SCHEMBL11044266 1.00 SRM (0.37) SRMSMSHSPA8ADKFBP1
SCHEMBL11040836 1.00 SRM (0.37) SRMSMSHSPA8ADKFBP1
Hydrochloric Acid SCHEMBL11043513 0.99 SRM (0.37) SRMSMSHSPA8ADKFBP1
SCHEMBL11042514 0.99 HSPA8 (0.37) SRMSMSHSPA8ADKFBP1
SCHEMBL11041141 0.96 HSPA8 (0.37) SRMSMSHSPA8ADKFBP1
SCHEMBL11043640 0.94 HSPA8 (0.39) SRMHSPA8ADKFBP1
SCHEMBL11165275 0.91 HSPA8 (0.38) SRMHSPA8ADKFBP1
SCHEMBL11310700 0.80 HSPA8 (0.36) SRMSMSHSPA8ADKFBP1
SCHEMBL11040749 0.80 SRM (0.37) SRMSMSHSPA8ADK

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-0037310-B1 SUBSTITUTED DEOXYADENOSINE DERIVATIVES MERRELL TORAUDE ET COMPAGNIE (FR) 1984-05-09 EP disclosed