SCHEMBL22018211

SCHEMBL22018211

CCC(CC)n1c(=O)c2ccc3c4ccccc4sc4c(C#Cc5ccc(N)cc5)cc(c1=O)c2c43

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TLR9 Q9NR96 1/20 0.36
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 2/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL22018386 0.91 HCRTR1 (0.36) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL22018208 0.87 MAPT (0.32) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL22018385 0.87 MAPT (0.31) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL22018210 0.85 MEN1 (0.31) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL22018384 0.80 MEN1 (0.44) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL22018213 0.78 KMT2A (0.36) MEN1KMT2ARAB9AL3MBTL1MAPT
SCHEMBL22018365 0.78 MEN1 (0.31) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL22018372 0.75 MAPT (0.33) RAB9AL3MBTL1MAPTALDH1A1HPGD
SCHEMBL22018615 0.74 ALDH1A1 (0.41) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL22018387 0.71 RAB9A (0.46) MEN1KMT2ARAB9ANPC1L3MBTL1

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