SCHEMBL8628729

SCHEMBL8628729

Cc1c(C(N)=CC(=O)C2CC2)ccc(Br)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A4 P31645 3/20 0.32
MGLL Q99685 1/20 0.30
SLC6A2 P23975 2/20 0.30

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
SCHEMBL8631726 0.86 ERN1 (0.35) ERN1ALOX12HTT
SCHEMBL8625856 0.86 SLC6A4 (0.43) MEN1HPGDKMT2ASMN1; SMN2SLC6A4
SCHEMBL8628725 0.83 MEN1 (0.32) ERN1MEN1LMNAHPGDALOX15
SCHEMBL8628727 0.83 MEN1 (0.32) ERN1MEN1LMNAHPGDALOX15
SCHEMBL8629071 0.76 ALDH1A1 (0.42) MEN1LMNAHPGDKMT2ASMN1; SMN2
SCHEMBL8632344 0.76 DGAT1 (0.38) MEN1HPGDHTTKMT2ASMN1; SMN2
SCHEMBL8631720 0.75 ERN1 (0.33) ERN1
SCHEMBL8631716 0.75 ERN1 (0.33) ERN1
SCHEMBL18786842 0.74 ERN1 (0.43) ERN1KMT2A
SCHEMBL8625853 0.72 HPGD (0.32) HPGDSMN1; SMN2SLC6A4SLC6A2

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