SCHEMBL29580443

SCHEMBL29580443

CCc1ccccc1NC(=O)Nc1ccccc1CC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.72
KMT2A Q03164 5/20 0.70
MEN1 O00255 4/20 0.70
GAA P10253 2/20 0.70
POLB P06746 3/20 0.69
MAPT P10636 4/20 0.68
PKM P14618 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
TAS1R3 Q7RTX0 1/20 0.67
TAS1R1 Q7RTX1 1/20 0.67
ALDH1A1 P00352 4/20 0.63
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59

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
SCHEMBL9717979 1.00 HTT (0.72) HTTKMT2AMEN1GAAPOLB
SCHEMBL11028218 0.91 HTT (0.77) HTTKMT2AMEN1GAAPOLB
SCHEMBL948318 0.87 MAPT (0.59) HTTKMT2AMEN1GAAPOLB
SCHEMBL2349955 0.87 MAPT (0.61) HTTKMT2AMEN1GAAPOLB
SCHEMBL5853228 0.86 HTT (0.75) HTTKMT2AMEN1GAAPOLB
SCHEMBL15093807 0.86 POLB (0.58) HTTKMT2AMEN1GAAPOLB
SCHEMBL29580855 0.86 POLB (0.58) HTTKMT2AMEN1GAAPOLB
SCHEMBL13469120 0.86 L3MBTL1 (0.70) HTTKMT2AMEN1GAAPOLB
SCHEMBL8404776 0.85 POLB (0.70) HTTKMT2AMEN1GAAPOLB
Hydrochloric Acid SCHEMBL22346017 0.85 MAPT (0.58) HTTKMT2AMEN1GAAPOLB

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-109803992-B Isocyanate composition and method for producing isocyanate polymer 旭化成株式会社 2022-05-24 CN disclosed