SCHEMBL28664666

SCHEMBL28664666

N#CCCCN(CC(=O)O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.42
AR P10275 1/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LIMK1 P53667 1/20 0.40

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
Hydrochloric Acid SCHEMBL6423777 0.89 POLB (0.52) POLBALDH1A1MEN1KMT2ATDP1
SCHEMBL154270 0.85 ALDH1A1 (0.48) POLBHDAC3HDAC1HDAC2HDAC8
SCHEMBL7877735 0.85 ALDH1A1 (0.48) POLBHDAC3HDAC1HDAC2HDAC8
SCHEMBL28562689 0.85 POLB (0.46) POLBHDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL11203276 0.84 ALDH1A1 (0.47) POLBHDAC3HDAC1HDAC2HDAC8
SCHEMBL2945207 0.84 ALDH1A1 (0.45) POLBHDAC3HDAC1HDAC2HDAC8
SCHEMBL10962715 0.82 POLB (0.47) POLBHDAC3HDAC1HDAC2HDAC8
SCHEMBL2799777 0.82 TDP1 (0.52) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL8987713 0.80 HDAC3 (0.49) POLBHDAC3HDAC1HDAC2HDAC8
SCHEMBL17508109 0.80 ALDH1A1 (0.47) POLBHDAC3HDAC1HDAC2HDAC8

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-109476663-B Pyrazolopyridine derivatives for the treatment of cancer 基因泰克公司 2021-11-09 CN disclosed