SCHEMBL23399529

SCHEMBL23399529

CCn1nc(O)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALOX15 P16050 1/20 0.38
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.33
HTT P42858 2/20 0.32
APAF1 O14727 1/20 0.32
SMN1; SMN2 Q16637 3/20 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
SCHEMBL23403490 0.82 ADORA2A (0.37) ADORA2AADORA2BALDH1A1APAF1
SCHEMBL23402270 0.79 NR1H3 (0.37) LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL23400264 0.77 ADORA2A (0.34) ADORA2AADORA2B
SCHEMBL13184145 0.77 APAF1 (0.36) LMNAALOX15ADORA2AADORA2BALDH1A1
SCHEMBL23398429 0.77 LMNA (0.36) LMNAALOX15ADORA2AADORA2BALDH1A1
SCHEMBL23399089 0.76 APAF1 (0.44) ALDH1A1APAF1SMN1; SMN2
SCHEMBL8649530 0.75 ALDH1A1 (0.54) LMNAALOX15ADORA2AADORA2BALDH1A1
SCHEMBL23402538 0.74 ADORA2A (0.32) ADORA2AADORA2B
SCHEMBL23401006 0.74 ADORA2A (0.32) ADORA2AADORA2B
SCHEMBL23402510 0.74 NPC1 (0.38) LMNAALOX15ADORA2AADORA2BKDM4E

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed