SCHEMBL4633403

SCHEMBL4633403

COc1ccc(N2C(=O)c3cccc4c(/N=C/c5cc[n+](CCO)cc5)ccc(c34)C2=O)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
NR1H3 Q13133 2/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
PABPC1 P11940 1/20 0.39
XBP1 P17861 1/20 0.39
NFKB1 P19838 1/20 0.39
SMARCA2 P51531 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
USP2 O75604 3/20 0.39
CHAT P28329 1/20 0.39
NR1H2 P55055 1/20 0.38
PRMT1 Q99873 1/20 0.38
HPGD P15428 3/20 0.37

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
SCHEMBL4634206 1.00 KMT2A (0.41) KMT2AMEN1NR1H3ALDH1A1MAPT
Bromide SCHEMBL4634669 0.99 KMT2A (0.40) KMT2AMEN1NR1H3ALDH1A1MAPT
Bromide SCHEMBL4634200 0.99 KMT2A (0.40) KMT2AMEN1NR1H3ALDH1A1MAPT
Bromide SCHEMBL4535340 0.84 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTHTT
Bromide SCHEMBL4535352 0.84 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTHTT
Bromide SCHEMBL4532718 0.80 MEN1 (0.41) KMT2AMEN1ALDH1A1MAPTKDM4E
Bromide SCHEMBL4534732 0.80 MEN1 (0.41) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL5711637 0.75 MEN1 (0.40) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL4633743 0.75 MEN1 (0.40) KMT2AMEN1ALDH1A1MAPTKDM4E
Bromide SCHEMBL3890946 0.74 MEN1 (0.39) KMT2AMEN1ALDH1A1MAPTLMNA

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
EP-1729723-B1 NEUTRAL AND CATIONIC NAPHTHALENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS FOR DYEING KERATIN FIBERS WELLA AG (DE) 2008-06-04 EP claimed