SCHEMBL29182136

SCHEMBL29182136

C=CC(=O)n1ccnc1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 2/20 0.38
PLAA Q9Y263 1/20 0.38
ALPL P05186 1/20 0.37
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
F2 P00734 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32

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
SCHEMBL2288576 0.80 ALPG (0.42) ALPGPLAAALPLALDH1A1KDM4E
SCHEMBL1165647 0.80 ALPG (0.42) ALPGPLAAALPLALDH1A1KDM4E
SCHEMBL29182103 0.78 ALDH1A1 (0.36) ALPGPLAAALPLALDH1A1KDM4E
SCHEMBL28746087 0.78 ALPG (0.41) ALPGPLAAALPLALDH1A1KDM4E
SCHEMBL1353073 0.78 ALPG (0.41) ALPGPLAAALPLALDH1A1KDM4E
SCHEMBL17067661 0.78 ALDH1A1 (0.33) ALDH1A1TSHR
Ethane SCHEMBL27625282 0.77 ALPG (0.40) ALPGPLAAALPLALDH1A1KDM4E
SCHEMBL28151261 0.77 ALPG (0.40) ALPGPLAAALPLALDH1A1KDM4E
SCHEMBL19201556 0.75 SMN1; SMN2 (0.32)
SCHEMBL11646580 0.74 ALPG (0.35) ALPGPLAAALPLALDH1A1KDM4E

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
CN-117551035-A Nitrogen-containing trisubstituted olefin compound and preparation method and application thereof 华南师范大学 2024-02-13 CN disclosed