SCHEMBL14626752

SCHEMBL14626752

CC(=O)Cc1ccc(NC(=O)c2nccc3ccccc23)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 2/20 0.46
ITGB1 P05556 2/20 0.45
ITGA4 P13612 2/20 0.45
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL2433435 0.90 RAB9A (0.50) MAPTMEN1KMT2ATP53TSHR
SCHEMBL14591892 0.89 MAPT (0.44) MAPTMEN1KMT2ATP53TSHR
SCHEMBL14491714 0.87 ITGB1 (0.46) MAPTMEN1KMT2ATP53TSHR
SCHEMBL12327918 0.86 MEN1 (0.47) MAPTMEN1KMT2ATP53TSHR
SCHEMBL91549 0.83 RAB9A (0.62) MAPTMEN1KMT2ATP53TSHR
SCHEMBL27578589 0.80 KMT2A (0.44) MAPTMEN1KMT2ATP53TSHR
SCHEMBL12327268 0.80 RIOK2 (0.39) MAPTMEN1KMT2ARAB9AHDAC6
SCHEMBL14626963 0.78 RAB9A (0.46) MAPTMEN1KMT2ATP53TSHR
SCHEMBL2432899 0.77 RAB9A (0.43) MAPTMEN1KMT2ATP53TSHR
SCHEMBL2429149 0.77 ITGB1 (0.55) MAPTMEN1KMT2ATP53TSHR

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-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed