SCHEMBL29953824

SCHEMBL29953824

CCCCNc1ncc(C=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.41
HDAC3 O15379 2/20 0.40
TYRO3 Q06418 7/20 0.39
MERTK Q12866 7/20 0.39
FLT3 P36888 6/20 0.39
GAS6 Q14393 6/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
AXL P30530 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
TLR8 Q9NR97 1/20 0.37
SLC29A1 Q99808 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 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
SCHEMBL29951944 0.93 HDAC1 (0.43) HCAR3HDAC3TYRO3MERTKFLT3
SCHEMBL29958427 0.89 ACACB (0.38) HCAR3HDAC3CA1CA2CA9
SCHEMBL29958007 0.80 ALDH1A1 (0.41) HCAR3L3MBTL1
SCHEMBL29951767 0.77 HCAR3 (0.59) HCAR3L3MBTL1HRH4TLR8HDAC1
SCHEMBL27081560 0.77 GAA (0.40) HDAC3TYRO3MERTKFLT3GAS6
SCHEMBL27083128 0.76 HCAR3 (0.42) HCAR3
SCHEMBL26559480 0.75
SCHEMBL22242622 0.74 PCSK9 (0.47) HCAR3HDAC3TYRO3MERTKFLT3
SCHEMBL6490227 0.74 ALDH1A1 (0.65) TYRO3MERTKFLT3GAS6AXL
SCHEMBL2556214 0.74 ALDH1A1 (0.44) L3MBTL1

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