SCHEMBL6809964

SCHEMBL6809964

CC(c1ccc(C[C]=O)cc1)N1CCS(=O)(=O)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
RORC P51449 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL10094606 0.74 CA12 (0.34) MAPK1MEN1KMT2A
SCHEMBL6809967 0.74 CA12 (0.33) LMNATP53L3MBTL1MAPK1PKM
SCHEMBL11995145 0.64 CA2 (0.41) LMNATP53MAPK1MEN1KMT2A
SCHEMBL4443396 0.63 TP53 (0.38) LMNATP53L3MBTL1MAPK1
SCHEMBL12960882 0.63 HTT (0.41) LMNATP53MAPK1MEN1KMT2A
SCHEMBL3972121 0.63 MAPK1 (0.37) L3MBTL1MAPK1MEN1KMT2A
SCHEMBL8943574 0.62 IDO1 (0.47) L3MBTL1MEN1KMT2A
SCHEMBL6809969 0.62 CYP1A2 (0.33) L3MBTL1RORCMEN1KMT2A
SCHEMBL23820014 0.62 MAPK1 (0.36) L3MBTL1MAPK1MEN1KMT2A
SCHEMBL3970320 0.61 MAPK1 (0.36) LMNATP53L3MBTL1MAPK1MEN1

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-6770647-B2 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-03 US disclosed