SCHEMBL27768614

SCHEMBL27768614

Nc1ccccc1-c1c(N)cccc1-c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
HSD17B10 Q99714 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.52
PTPRC P08575 1/20 0.52
ADORA2A P29274 4/20 0.47
HSPA1A P0DMV8 1/20 0.44
PABPC1 P11940 1/20 0.44
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
CSNK1A1 P48729 2/20 0.41
MAOA P21397 2/20 0.41
FGR P09769 1/20 0.41
PIM1 P11309 1/20 0.41
CSNK1D P48730 1/20 0.41

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
SCHEMBL8341762 0.91 ALDH1A1 (0.64) ALDH1A1HSD17B10L3MBTL1PTPRCADORA2A
SCHEMBL1101259 0.91 ALDH1A1 (0.64) ALDH1A1HSD17B10L3MBTL1PTPRCADORA2A
SCHEMBL24839924 0.91 ALDH1A1 (0.62) ALDH1A1HSD17B10L3MBTL1PTPRCADORA2A
SCHEMBL140573 0.88 ALDH1A1 (0.65) ALDH1A1HSD17B10L3MBTL1PTPRCADORA2A
Ammonia Solution, Strong SCHEMBL28009585 0.86 ALDH1A1 (0.62) ALDH1A1HSD17B10L3MBTL1PTPRCADORA2A
SCHEMBL1478478 0.86 ALDH1A1 (0.62) ALDH1A1HSD17B10L3MBTL1PTPRCADORA2A
SCHEMBL10608508 0.84 ALDH1A1 (0.67) ALDH1A1HSD17B10L3MBTL1PTPRCADORA2A
SCHEMBL29165707 0.84 ALDH1A1 (0.60) ALDH1A1HSD17B10L3MBTL1PTPRCADORA2A
SCHEMBL7719451 0.84 ALDH1A1 (0.67) ALDH1A1HSD17B10L3MBTL1PTPRCADORA2A
Ethylene SCHEMBL28845290 0.84 ALDH1A1 (0.60) ALDH1A1HSD17B10L3MBTL1PTPRCADORA2A

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-101626903-A Laser-sensitive recording material with an undercoat BASF SE 2010-01-13 CN disclosed