SCHEMBL1101259

SCHEMBL1101259

Nc1ccccc1-c1c(N)cccc1-c1ccccc1-c1ccccc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
HSD17B10 Q99714 2/20 0.64
PTPRC P08575 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADORA2A P29274 3/20 0.44
HSPA1A P0DMV8 1/20 0.42
PABPC1 P11940 1/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
CSNK1A1 P48729 2/20 0.39
FGR P09769 1/20 0.39
PIM1 P11309 1/20 0.39
MAOA P21397 1/20 0.39
CSNK1D P48730 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL27768614 0.91 ALDH1A1 (0.70) ALDH1A1HSD17B10PTPRCL3MBTL1ADORA2A
SCHEMBL8341762 0.88 ALDH1A1 (0.64) ALDH1A1HSD17B10PTPRCL3MBTL1ADORA2A
SCHEMBL6002306 0.87 ALDH1A1 (0.62) ALDH1A1HSD17B10PTPRCL3MBTL1ADORA2A
SCHEMBL24839924 0.87 ALDH1A1 (0.62) ALDH1A1HSD17B10PTPRCL3MBTL1ADORA2A
SCHEMBL6003327 0.87 ALDH1A1 (0.62) ALDH1A1HSD17B10PTPRCL3MBTL1ADORA2A
SCHEMBL1029513 0.85 ALDH1A1 (0.65) ALDH1A1HSD17B10PTPRCL3MBTL1ADORA2A
SCHEMBL5493737 0.84 ALDH1A1 (0.68) ALDH1A1HSD17B10PTPRCL3MBTL1ADORA2A
SCHEMBL606996 0.84 ALDH1A1 (0.80) ALDH1A1HSD17B10L3MBTL1HPGDSMN1; SMN2
SCHEMBL29413803 0.84 ALDH1A1 (0.80) ALDH1A1HSD17B10L3MBTL1HPGDSMN1; SMN2
SCHEMBL29607177 0.84 ALDH1A1 (0.80) ALDH1A1HSD17B10L3MBTL1HPGDSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153260-B2 Composite material ADEKA CORPORATION (JP) 2012-04-10 US disclosed
US-20100112323-A1 COMPOSITE MATERIAL ADEKA CORPORATION (JP) 2010-05-06 US disclosed