SCHEMBL28855439

SCHEMBL28855439

Cc1cccc(NCCCCO)c1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.71
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 3/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GSTM2 P28161 1/20 0.45
POLB P06746 1/20 0.44
BRD4 O60885 1/20 0.43
TERT O14746 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL29901082 1.00 KAT2B (0.71) KAT2BALDH1A1TDP1HPGDTSHR
SCHEMBL28855349 0.99 KAT2B (0.69) KAT2BALDH1A1TDP1HPGDTSHR
SCHEMBL29901071 0.99 KAT2B (0.69) KAT2BALDH1A1TDP1HPGDTSHR
SCHEMBL4861914 0.96 KAT2B (0.72) KAT2BALDH1A1TDP1HPGDTSHR
SCHEMBL29393615 0.90 KAT2B (0.68) KAT2BALDH1A1TDP1HPGDTSHR
SCHEMBL125386 0.90 KAT2B (0.68) KAT2BALDH1A1TDP1HPGDTSHR
SCHEMBL17819049 0.87 KAT2B (0.72) KAT2BALDH1A1TDP1HPGDTSHR
SCHEMBL9771638 0.85 KAT2B (0.56) KAT2BALDH1A1TDP1HPGDTSHR
Hydrochloric Acid SCHEMBL515535 0.83 KAT2B (1.00) KAT2BALDH1A1TDP1HPGDTSHR
SCHEMBL29901086 0.82 KAT2B (0.59) KAT2BALDH1A1TDP1HPGDTSHR

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-115151538-A Macrocyclic compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-10-04 CN disclosed