SCHEMBL28225532

SCHEMBL28225532

Oc1cccc(C2CCCC2)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
NUDT1 P36639 1/20 0.37
BACE1 P56817 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
DRD2 P14416 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
CEL P19835 1/20 0.34
PTPN5 P54829 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 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
SCHEMBL1483812 0.83 CEL (0.41) MEN1KMT2AKDM4EMAPTPTGDR2
SCHEMBL613255 0.81 HDAC4 (0.34) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL1866340 0.79 HDAC4 (0.47) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL42554 0.79 KMT2A (0.57) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL4962052 0.78 CHRNB2 (0.55) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL1053897 0.78 HDAC4 (0.46) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL9627736 0.78 TSHR (0.46) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL4556222 0.77 KMT2A (0.55) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL3356780 0.77 KMT2A (0.55) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL4959102 0.77 KMT2A (0.55) HDAC4HDAC2HDAC8MEN1KMT2A

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-108264498-A Compound, the liquid crystal media comprising the compound and its application 石家庄诚志永华显示材料有限公司 2018-07-10 CN disclosed