SCHEMBL8628725

SCHEMBL8628725

CSc1c(/C(N)=C\C(=O)C2CC2)ccc(Br)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ERN1 O75460 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
SCHEMBL8628727 1.00 MEN1 (0.32) MEN1LMNAHPGDALOX15ALOX12
SCHEMBL8625850 0.87 HPGD (0.32) HPGDSMN1; SMN2
SCHEMBL8631720 0.87 ERN1 (0.33) ERN1
SCHEMBL8625853 0.87 HPGD (0.32) HPGDSMN1; SMN2
SCHEMBL8631716 0.87 ERN1 (0.33) ERN1
SCHEMBL8628729 0.83 ERN1 (0.33) MEN1LMNAHPGDALOX15ALOX12
SCHEMBL8625247 0.75 LMNA (0.33) LMNAHTT
SCHEMBL8631726 0.75 ERN1 (0.35) ALOX12HTTERN1
SCHEMBL8629068 0.74 ADRA1D (0.34) MEN1LMNAHPGDHTTKMT2A
SCHEMBL8629066 0.74 ADRA1D (0.34) MEN1LMNAHPGDHTTKMT2A

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