SCHEMBL29953385

SCHEMBL29953385

OB(O)c1cncc(N2CCOCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
PIM2 Q9P1W9 1/20 0.40
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GAA P10253 1/20 0.38
HTT P42858 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 3/20 0.37
MAPT P10636 2/20 0.37
CYP2D6 P10635 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMPD3 Q9NY59 1/20 0.36
CYP2C9 P11712 2/20 0.36

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
SCHEMBL29951800 0.84 CYP11B1 (0.40) ALDH1A1PIM2KMT2APOLBMEN1
SCHEMBL29950943 0.83 CYP11B1 (0.39) ALDH1A1PIM2KMT2APOLBMEN1
Lithium Ion SCHEMBL21331038 0.81 CYP11B1 (0.38) ALDH1A1PIM2KMT2APOLBMEN1
SCHEMBL2557571 0.79 CLK2 (0.43) ALDH1A1PIM2KMT2AMEN1KDM4E
SCHEMBL15845742 0.77 GAA (0.51) ALDH1A1POLBKDM4EHPGDHSD17B10
SCHEMBL29951749 0.75 ALDH1A1 (0.44) ALDH1A1KMT2APOLBMEN1KDM4E
SCHEMBL12186838 0.74 KMT2A (0.41) ALDH1A1PIM2KMT2APOLBMEN1
SCHEMBL9885000 0.74 KMT2A (0.53) ALDH1A1KMT2APOLBMEN1KDM4E
SCHEMBL3089415 0.74 KMT2A (0.64) ALDH1A1PIM2KMT2APOLBMEN1
SCHEMBL19581824 0.74 KMT2A (0.41) ALDH1A1PIM2KMT2APOLBMEN1

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