SCHEMBL28099579

SCHEMBL28099579

CCCCCC(Br)CC(Br)c1cccs1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SLC7A5 Q01650 1/20 0.32
HDAC3 O15379 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
THRB P10828 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3465369 0.87 HDAC1 (0.38) GLATSHRHTTL3MBTL1HDAC1
SCHEMBL27842941 0.85 HDAC1 (0.40) GLATSHRHTTL3MBTL1HDAC1
SCHEMBL28001240 0.85 HDAC1 (0.40) GLATSHRHTTL3MBTL1HDAC1
SCHEMBL27758869 0.85 HDAC1 (0.40) GLATSHRHTTL3MBTL1HDAC1
SCHEMBL27537070 0.85 HDAC1 (0.40) GLATSHRHTTL3MBTL1HDAC1
SCHEMBL15412977 0.84 HDAC1 (0.33) GLATSHRHTTL3MBTL1HDAC1
SCHEMBL29093242 0.82 GLA (0.39) GLATSHRHTTL3MBTL1HDAC1
SCHEMBL8091679 0.78 TAS1R3 (0.36) HTT
SCHEMBL1255332 0.78 SLC7A5 (0.35) GLATSHRHTTL3MBTL1HDAC1
SCHEMBL920216 0.77 HTT (0.38) GLATSHRHTTL3MBTL1HDAC1

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
CN-105992787-A Organic semiconductor material 东洋纺株式会社 2016-10-05 CN disclosed