SCHEMBL7417345

SCHEMBL7417345

NC(=O)C[CH]Cc1cc(Br)cc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX1 P07099 2/20 0.36
IDO1 P14902 3/20 0.35
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PARP15 Q460N3 1/20 0.30
PARP14 Q460N5 1/20 0.30
PARP10 Q53GL7 1/20 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
SCHEMBL7380885 0.81 HTR3E (0.38) EPHX1IDO1
SCHEMBL7379832 0.77 PRSS1 (0.42) EPHX1IDO1SMN1; SMN2PARP10
SCHEMBL28323722 0.76 IDO1 (0.42) IDO1
SCHEMBL7377171 0.74 HTT (0.46) MEN1KMT2ASMN1; SMN2
SCHEMBL7386500 0.73 IDO1 (0.42) EPHX1IDO1
SCHEMBL5391144 0.73 CA2 (0.46) MEN1KMT2AEPHX1IDO1SMN1; SMN2
SCHEMBL27630839 0.72 IDO1 (0.45) EPHX1IDO1PKMSMN1; SMN2
Hydrochloric Acid SCHEMBL5409279 0.71 CA2 (0.45) MEN1KMT2AEPHX1IDO1SMN1; SMN2
SCHEMBL5215999 0.71 CA2 (0.55) MEN1KMT2AIDO1
SCHEMBL7411026 0.70 HDAC6 (0.41)

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-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed