SCHEMBL28820669

SCHEMBL28820669

C/C=C/C=C/c1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
KMT2A Q03164 6/20 0.56
RAB9A P51151 6/20 0.56
MEN1 O00255 5/20 0.56
TDP1 Q9NUW8 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
APP P05067 1/20 0.54
INSR P06213 1/20 0.54
NCOA1 Q15788 1/20 0.54
NPC1 O15118 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
POLB P06746 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL29881859 1.00 MAPT (0.56) MAPTKMT2ARAB9AMEN1TDP1
SCHEMBL13596251 0.87 MAPT (0.61) MAPTKMT2ARAB9AMEN1TDP1
SCHEMBL14432528 0.87 MAPT (0.61) MAPTKMT2ARAB9AMEN1TDP1
SCHEMBL16118383 0.87 MAPT (0.61) MAPTKMT2ARAB9AMEN1TDP1
SCHEMBL27644430 0.84 MAPT (0.50) MAPTKMT2ARAB9AMEN1TDP1
SCHEMBL11776645 0.83 MAPT (0.57) MAPTKMT2ARAB9AMEN1TDP1
SCHEMBL26467451 0.83 MAPT (0.57) MAPTKMT2ARAB9AMEN1TDP1
SCHEMBL288476 0.81 MAPT (0.57) MAPTKMT2ARAB9AMEN1TDP1
SCHEMBL6002823 0.81 MAPT (0.54) MAPTKMT2ARAB9AMEN1TDP1
SCHEMBL31074949 0.81 MAPT (0.54) MAPTKMT2ARAB9AMEN1TDP1

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-114907514-A Multifunctional fiber and preparation method and application thereof 北京洁尔爽高科技有限公司 2022-08-16 CN disclosed