SCHEMBL11565951

SCHEMBL11565951

C=C1CC(C(N)=O)=CC=C1C(N)=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.31

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
SCHEMBL18978537 0.58 GABRR1 (0.34) GABRR1
SCHEMBL23189253 0.57 PLA2G2A (0.49)
SCHEMBL18871698 0.57 GABRR1 (0.33) GABRR1
SCHEMBL14185497 0.56 GABRR1 (0.36) GABRR1
SCHEMBL8333628 0.55
SCHEMBL1259103 0.55
SCHEMBL23300033 0.50
SCHEMBL23300034 0.49
Urea SCHEMBL28098547 0.48
SCHEMBL30640923 0.48 ALDH1A1 (0.31)

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
US-4163101-A HEATING AN AQUEOUS SOLUTION OF THE CORRESPONDING SALT DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1979-07-31 US disclosed