SCHEMBL23403443

SCHEMBL23403443

CCCc1c(O)c(C)nn1CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
APAF1 O14727 2/20 0.33
MAPK14 Q16539 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL23399192 0.90 SMN1; SMN2 (0.36) SMN1; SMN2APAF1ADORA2AADORA2BNPC1
SCHEMBL23400043 0.86 SMN1; SMN2 (0.40) SMN1; SMN2APAF1NPC1RAB9A
SCHEMBL23402492 0.84 SMN1; SMN2 (0.41) SMN1; SMN2APAF1NPC1RAB9A
SCHEMBL23400273 0.83 HTR2A (0.32)
SCHEMBL23400888 0.82 ADORA2A (0.37) ADORA2AADORA2B
SCHEMBL23403211 0.82 ADORA2A (0.43) ADORA2AADORA2B
SCHEMBL27139010 0.81
SCHEMBL23403386 0.81
SCHEMBL23401655 0.80 KDM4E (0.30)
SCHEMBL23399102 0.79 ADORA2A (0.39) ADORA2AADORA2B

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