SCHEMBL22018384

SCHEMBL22018384

CCC(CC)n1c(=O)c2ccc3c4ccccc4oc4c(C#Cc5ccc(N)cc5)cc(c1=O)c2c43

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TLR9 Q9NR96 2/20 0.36
ADRB2 P07550 1/20 0.36
CDC14B O60729 1/20 0.33
CDC14A Q9UNH5 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL22018387 0.91 RAB9A (0.46) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL22018388 0.87 NPC1 (0.32) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL22018212 0.86 ALDH1A1 (0.31) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL22018214 0.85 NPC1 (0.30) RAB9ANPC1SMN1; SMN2
SCHEMBL22018367 0.84 MEN1 (0.40) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL22018211 0.80 MEN1 (0.37) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL22018366 0.75 RAB9A (0.41) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL22018368 0.72 KDM4E (0.33) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL22018386 0.71 HCRTR1 (0.36) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL22019249 0.70 KDM4E (0.33) MEN1KMT2ARAB9ANPC1KDM4E

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
WO-2020099793-A1 NOVEL BENZOTHIOXANTHENE P-CONJUGATED MOLECULES FOR ENERGY STORAGE UNIVERSITE D'ANGERS (FR) 2020-05-22 WO disclosed