SCHEMBL29955086

SCHEMBL29955086

O=C(O)CC(=O)Nc1ccccc1N1CCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 11/20 0.74
KMT2A Q03164 4/20 0.74
GAA P10253 3/20 0.74
PKM P14618 1/20 0.74
NPSR1 Q6W5P4 2/20 0.67
LMNA P02545 1/20 0.67
TSHR P16473 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
MEN1 O00255 2/20 0.61
PLA2G1B P04054 1/20 0.61
ATM Q13315 1/20 0.61
ATG4B Q9Y4P1 1/20 0.61
KDM4E B2RXH2 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
XBP1 P17861 1/20 0.61
CYP2C19 P33261 1/20 0.61
MAPK1 P28482 1/20 0.59
POLB P06746 1/20 0.59

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
SCHEMBL29957640 0.98 KMT2A (0.72) KCNQ2KMT2AGAAPKMNPSR1
SCHEMBL29951675 0.88 KCNQ2 (0.70) KCNQ2KMT2AGAAPKMNPSR1
SCHEMBL29957211 0.87 KMT2A (0.68) KCNQ2KMT2AGAAPKMNPSR1
SCHEMBL15329587 0.85 KMT2A (0.67) KCNQ2KMT2AGAAPKMNPSR1
SCHEMBL13167010 0.85 KCNQ2 (1.00) KCNQ2KMT2AGAAPKMNPSR1
SCHEMBL2555188 0.84 KMT2A (0.65) KCNQ2KMT2AGAAPKMNPSR1
SCHEMBL4318899 0.83 KCNQ2 (0.68) KCNQ2KMT2AGAAPKMNPSR1
SCHEMBL22897679 0.83 KCNQ2 (0.68) KCNQ2KMT2AGAAPKMNPSR1
SCHEMBL29559749 0.83 KCNQ2 (0.68) KCNQ2KMT2AGAAPKMNPSR1
SCHEMBL1439619 0.80 GAA (0.63) KCNQ2KMT2AGAAPKMNPSR1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed