SCHEMBL6287009

SCHEMBL6287009

O=C(OCc1ccccc1)c1ccc(Br)c(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
TDP1 Q9NUW8 4/20 0.64
SLC6A2 P23975 1/20 0.64
SLC6A3 Q01959 1/20 0.64
LMNA P02545 3/20 0.63
ALDH1A1 P00352 7/20 0.58
RAB9A P51151 6/20 0.58
NPC1 O15118 4/20 0.58
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 2/20 0.55
TSHR P16473 1/20 0.53
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL12563203 0.88 LMNA (0.64) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL5332234 0.88 TDP1 (0.60) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL26695099 0.86 KMT2A (0.63) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3497492 0.86 KMT2A (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL31737534 0.86 KMT2A (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3919885 0.86 KMT2A (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL1990848 0.85 SLC6A2 (0.57) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL20482380 0.85 KMT2A (0.57) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL2590133 0.84 RAB9A (0.56) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL30901986 0.83 TDP1 (0.54) KMT2ATDP1SLC6A2SLC6A3LMNA

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-6951918-B2 Peptidic procollagen C-proteinase inhibitors SYNTEX (U.S.A.) LLC (US) 2005-10-04 US disclosed