SCHEMBL8405348

SCHEMBL8405348

CC(=O)OCCCNc1ccc(Br)c2c1C(=O)c1c(Br)cccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
BLM P54132 3/20 0.44
POLB P06746 3/20 0.44
RXFP1 Q9HBX9 3/20 0.44
NSD2 O96028 2/20 0.44
FGB P02675 1/20 0.42
MMP14 P50281 1/20 0.42
MAPT P10636 5/20 0.39
NPSR1 Q6W5P4 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 1/20 0.39
RAD52 P43351 1/20 0.39
RECQL P46063 1/20 0.39
TOP2B Q02880 2/20 0.38

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
SCHEMBL7494612 0.91 CYP19A1 (0.43) MEN1KMT2ABLMPOLBRXFP1
SCHEMBL7496695 0.84 NSD2 (0.57) MEN1KMT2ABLMPOLBRXFP1
SCHEMBL8401782 0.82 CYP19A1 (0.56) MEN1KMT2ABLMPOLBRXFP1
SCHEMBL9517673 0.74 MEN1 (0.45) MEN1KMT2ABLMPOLBRXFP1
SCHEMBL6824884 0.73 MEN1 (0.43) MEN1KMT2ABLMPOLBRXFP1
SCHEMBL9160540 0.73 POLB (0.55) MEN1KMT2ABLMPOLBRXFP1
SCHEMBL2833343 0.73 NSD2 (0.52) MEN1KMT2ABLMPOLBRXFP1
SCHEMBL2836129 0.72 TERT (0.48) MEN1KMT2ABLMPOLBNSD2
SCHEMBL10977378 0.72 MEN1 (0.54) MEN1KMT2ABLMPOLBRXFP1
SCHEMBL8406577 0.71 MAOA (0.37) MEN1KMT2ABLMPOLBRXFP1

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-5955564-A USEFUL FOR COPOLYMERIZING INTO POLYMERS SUCH AS POLYESTERS AND POLYURETHANES. HAIR DYES EASTMAN CHEMICAL COMPANY (US) 1999-09-21 US disclosed