SCHEMBL29952297

SCHEMBL29952297

[C-]#[N+]C(C(N)=O)N1C(C)CCCC1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
MGLL Q99685 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
EPHX1 P07099 1/20 0.31
ACHE P22303 1/20 0.31
HSD11B1 P28845 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL11760426 0.72 RECQL (0.37) RECQLHPGDGAAMGLLALDH1A1
SCHEMBL1051854 0.63 RECQL (0.54) RECQLHPGDMGLLALDH1A1GLA
SCHEMBL13158959 0.62 ACHE (0.37) RECQLMGLLACHE
Hydrochloric Acid SCHEMBL4597244 0.62 RECQL (0.52) RECQLHPGDMGLLALDH1A1GLA
SCHEMBL5240479 0.62 GAA (0.42) RECQLGAAMGLLALDH1A1
SCHEMBL6251800 0.62 KMT2A (0.40) RECQLGAAMGLLALDH1A1
SCHEMBL29440873 0.62 RECQL (0.38) RECQLHPGDGAAMGLLALDH1A1
SCHEMBL4089759 0.61 MGLL (0.43) RECQLMGLLALDH1A1ACHE
SCHEMBL10504568 0.61 MGLL (0.38) RECQLHPGDMGLLALDH1A1ACHE
SCHEMBL12197812 0.60 MGLL (0.41) RECQLHPGDMGLLALDH1A1ACHE

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