SCHEMBL29940261

SCHEMBL29940261

CCc1nc(C)nc(-c2ccccc2-c2ccc(C)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
NFKB1 P19838 3/20 0.36
NFKB2 Q00653 3/20 0.36
RELA Q04206 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL24795574 0.80 GPR55 (0.42) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL2879895 0.79 NPC1 (0.46) L3MBTL1AGTR1SMN1; SMN2ALDH1A1NPC1
SCHEMBL18086823 0.77 L3MBTL1 (0.62) L3MBTL1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL17933194 0.76 L3MBTL1 (0.67) L3MBTL1NPC1RAB9ATP53MAPK1
SCHEMBL25774971 0.74 L3MBTL1 (0.68) L3MBTL1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL15131515 0.74 ADORA3 (0.41) L3MBTL1ALDH1A1NPC1RAB9ANFKB1
SCHEMBL25786652 0.73 ALDH1A1 (0.40) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL15131512 0.72 ADORA3 (0.41) L3MBTL1ALDH1A1NPC1RAB9ANFKB1
SCHEMBL26597886 0.72 GABRP (0.38) L3MBTL1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL26597883 0.72 PYGL (0.40) L3MBTL1SMN1; SMN2ALDH1A1NPC1RAB9A

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-112154185-B Methacrylic resin composition and molded article 旭化成株式会社 2022-09-27 CN disclosed