SCHEMBL29404641

SCHEMBL29404641

Brc1ccccc1-c1nc2ccccc2o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
TP53 P04637 6/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
KMT2A Q03164 5/20 0.61
C1R P00736 1/20 0.61
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
HPGD P15428 6/20 0.55
ALDH1A1 P00352 6/20 0.55
HSD17B10 Q99714 6/20 0.55
KDM4E B2RXH2 5/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
TOP2A P11388 1/20 0.54
ELANE P08246 1/20 0.54
PKM P14618 2/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
CASP1 P29466 1/20 0.53

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
SCHEMBL7743334 1.00 MAPT (0.67) MAPTTP53SMN1; SMN2KMT2AC1R
SCHEMBL1832604 0.86 NPC1 (0.61) MAPTTP53SMN1; SMN2KMT2ANPC1
SCHEMBL171055 0.86 TOP2A (0.62) MAPTTP53SMN1; SMN2KMT2ANPC1
SCHEMBL29504749 0.86 TOP2A (0.62) MAPTTP53SMN1; SMN2KMT2ANPC1
SCHEMBL15976158 0.85 TOP2A (0.58) MAPTTP53SMN1; SMN2KMT2ANPC1
SCHEMBL10852717 0.85 MAPT (0.52) MAPTTP53SMN1; SMN2KMT2AC1R
SCHEMBL12854009 0.84 TOP2A (0.60) MAPTTP53SMN1; SMN2KMT2ANPC1
SCHEMBL10415479 0.83 MAPT (0.62) MAPTTP53SMN1; SMN2KMT2AC1R
SCHEMBL824375 0.82 NPC1 (0.69) MAPTTP53SMN1; SMN2KMT2ANPC1
SCHEMBL29531707 0.82 NPC1 (0.69) MAPTTP53SMN1; SMN2KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114105998-B Composition for cover layer of organic electroluminescent device and organic electroluminescent device comprising same Y控股公司 2024-07-19 CN disclosed
CN-113135923-B Composition for cover layer of organic electroluminescent device and organic electroluminescent device comprising same 伊爱尔安株式会社 2023-09-12 CN disclosed
CN-114105998-A Composition for capping layer of organic electroluminescent device and organic electroluminescent device comprising same 伊爱尔安株式会社 2022-03-01 CN disclosed