SCHEMBL23402145

SCHEMBL23402145

CCn1nc(C)c(O)c1CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31
APAF1 O14727 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL23402492 0.87 SMN1; SMN2 (0.41) APAF1GABRA1GABRB2SMN1; SMN2KDM4E
SCHEMBL23399102 0.86 ADORA2A (0.39) ADORA2AADORA2BGRIA4
SCHEMBL23401150 0.83 NR1H3 (0.32) ADORA2AADORA2B
SCHEMBL23400456 0.81 KDM4E (0.33) GRIA1GRIA2GRIA3GRIA4GABRA1
SCHEMBL23402085 0.80 ADORA2A (0.39) ADORA2AADORA2BLMNAALOX15SMN1; SMN2
SCHEMBL23400605 0.80 KDM4E (0.33) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL23402426 0.78 GRIA1 (0.34) ADORA2AADORA2BGRIA1GRIA2GRIA3
SCHEMBL23400043 0.78 SMN1; SMN2 (0.40) APAF1SMN1; SMN2
SCHEMBL23400888 0.77 ADORA2A (0.37) ADORA2AADORA2BLMNAALOX15
SCHEMBL23402217 0.77 GABRA1 (0.32) LMNAGRIA1GRIA2GRIA3GRIA4

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