SCHEMBL23403294

SCHEMBL23403294

CCc1nn(-c2ccc(C)cc2)c(O)c1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
TP53 P04637 4/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MAPT P10636 2/20 0.38
ALDH1A1 P00352 7/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
MAPK14 Q16539 2/20 0.36
RAB9A P51151 5/20 0.35
NPC1 O15118 3/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL23400578 0.90 TP53 (0.43) SMN1; SMN2TP53PDE4APDE4BPDE4C
SCHEMBL23403298 0.89 PDE4A (0.38) SMN1; SMN2TP53PDE4APDE4BPDE4C
SCHEMBL23399691 0.89 TP53 (0.40) SMN1; SMN2TP53PDE4APDE4BPDE4C
SCHEMBL23399737 0.86 KDM4E (0.36) SMN1; SMN2TP53PDE4APDE4BPDE4C
SCHEMBL23403213 0.86 KDM4E (0.36) SMN1; SMN2TP53PDE4APDE4BPDE4C
SCHEMBL23403675 0.86 TP53 (0.36) SMN1; SMN2TP53PDE4APDE4BPDE4C
SCHEMBL23399158 0.85 ALDH1A1 (0.42) SMN1; SMN2TP53MAPTALDH1A1L3MBTL1
SCHEMBL23402601 0.85 ALDH1A1 (0.51) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL23402672 0.85 SMN1; SMN2 (0.40) SMN1; SMN2TP53PDE4APDE4BPDE4C
SCHEMBL23402962 0.82 TP53 (0.44) SMN1; SMN2TP53PDE4APDE4BPDE4C

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