SCHEMBL29951433

SCHEMBL29951433

CC(=O)Nc1n[nH]cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
DYRK1A Q13627 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 2/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
NAPRT Q6XQN6 1/20 0.31

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
SCHEMBL29955035 0.78 CYP17A1 (0.38) CA1CA2CA9MEN1KMT2A
SCHEMBL14036599 0.78 GAA (0.37) KDM4ESMN1; SMN2MEN1KMT2AGAA
SCHEMBL12060660 0.76 LMNA (0.38) LMNADYRK1AL3MBTL1CYP1A2KDM4E
SCHEMBL13972876 0.74 HTT (0.37) L3MBTL1CYP1A2HPGDSMN1; SMN2MEN1
SCHEMBL12240176 0.73 ERN1 (0.32) LMNAMEN1KMT2AHTT
SCHEMBL28277691 0.72 LMNA (0.31) LMNADYRK1A
SCHEMBL3431335 0.71 MAPT (0.43) LMNADYRK1ACYP1A2KDM4EHPGD
SCHEMBL23803901 0.70 NPSR1 (0.43) L3MBTL1CYP1A2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6905230 0.69 TSHR (0.49) LMNAL3MBTL1CYP1A2KDM4EHPGD
SCHEMBL15112120 0.69 YTHDC1 (0.39) HPGDTSHRSMN1; SMN2HTT

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