SCHEMBL8631716

SCHEMBL8631716

CSc1c(/C(N)=C\C(=O)C2CC2)ccc(Br)c1Br

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 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
SCHEMBL8631720 1.00 ERN1 (0.33) ERN1
SCHEMBL8628727 0.87 MEN1 (0.32) ERN1
SCHEMBL8628725 0.87 MEN1 (0.32) ERN1
SCHEMBL8631726 0.82 ERN1 (0.35) ERN1
SCHEMBL8625850 0.79 HPGD (0.32)
SCHEMBL8625853 0.79 HPGD (0.32)
SCHEMBL8632340 0.76 DGAT1 (0.35)
SCHEMBL8632343 0.76 DGAT1 (0.35)
SCHEMBL8628729 0.75 ERN1 (0.33) ERN1
SCHEMBL8650089 0.73 HPGD (0.36)

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-0705243-B1 BETA-AMINOVINYL KETONES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR PREPARING BETA DIKETONES RHONE POULENC AGROCHIMIE (FR) 1998-06-24 EP disclosed
US-5684206-A CONDENSING METHYL ORGANO KETONE WITH A BENZONITRILE IN PRESENCE OF STRONG BASE RHONE-POULENC ARGOCHIMIE (FR) 1997-11-04 US disclosed