SCHEMBL9214746

SCHEMBL9214746

N#CCCC1C2CCCC1CC2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL11719604 0.78 TSHR (0.36) ALDH1A1TDP1
SCHEMBL24300145 0.76 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL24300140 0.73 ALDH1A1 (0.50) ALDH1A1TDP1
SCHEMBL24300508 0.73 ALDH1A1 (0.50) ALDH1A1TDP1
SCHEMBL937064 0.72
SCHEMBL24300146 0.71 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL9208229 0.71 HSD11B1 (0.37) ALDH1A1TDP1
SCHEMBL11342535 0.71
SCHEMBL13976239 0.71
SCHEMBL24300644 0.70 ALDH1A1 (0.35) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0500653-A4 INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE BIOCRYST INC (US) 1995-08-23 EP disclosed
EP-0500653-A1 INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE BIOCRYST PHARMACEUTICALS INC. (US) 1992-09-02 EP disclosed
WO-1991006548-A1 INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE BIOCRYST, INC. (US) 1991-05-16 WO disclosed
US-5008265-A 2-amino-7-(alicyclomethyl)-3H,5H,-pyrrolo[3,2-d]pyrimidin-4-ones and pharmaceutical uses and compositions containing the same BIOCRYST, INC. (US) 1991-04-16 US disclosed