SCHEMBL7645878

SCHEMBL7645878

NC(=O)c1ccc(N(S)C(=O)NCc2cc(C(F)(F)F)ccc2Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.36
VNN1 O95497 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
MAP2K4 P45985 1/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 3/20 0.35
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
P2RY14 Q15391 2/20 0.34
MLYCD O95822 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
MAPK14 Q16539 1/20 0.34
HDAC3 O15379 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL6816291 0.88 KMT2A (0.40) MAOBVNN1NPSR1MAP2K4EPHX2
SCHEMBL6816308 0.81 MLYCD (0.50) MAOBVNN1EPHX2NR1H4MLYCD
SCHEMBL7568347 0.80 MLYCD (0.54) MAOBVNN1HDAC8HDAC6MLYCD
SCHEMBL7571112 0.80 TRPV1 (0.37) MAOBNPSR1MAPTMAP2K4P2RY14
SCHEMBL7639025 0.77 MAOB (0.38) MAOBMAP2K4P2RY14MLYCD
SCHEMBL7599109 0.77 POLQ (0.41) MAOBMAPTMAP2K4EPHX2
SCHEMBL7645877 0.77 ALDH1A1 (0.48) NPSR1MAPTXBP1P2RY14LMNA
SCHEMBL6815202 0.77 VNN1 (0.47) MAOBVNN1EPHX2NR1H4MLYCD
SCHEMBL7597480 0.75 MLYCD (0.42) MAOBVNN1EPHX2NR1H4MLYCD
SCHEMBL7166826 0.75 MAOB (0.47) MAOBEPHX2NR1H4MLYCDKMT2A

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-6462055-B2 VIRICIDES WYETH 2002-10-08 US disclosed