SCHEMBL29922607

SCHEMBL29922607

CCCC(C)Nc1ccccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HDAC3 O15379 6/20 0.41
HDAC1 Q13547 6/20 0.41
HDAC2 Q92769 6/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
POLB P06746 1/20 0.39
AOC3 Q16853 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL21799545 1.00 TLR8 (0.41) TLR8TLR7SMN1; SMN2HDAC3HDAC1
SCHEMBL21799625 0.89 IDO1 (0.42) TLR8TLR7HDAC3HDAC1HDAC2
SCHEMBL22692976 0.88 CYP1A2 (0.39) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL28070127 0.86 KDM4E (0.39) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL11277416 0.86 SMN1; SMN2 (0.47) TLR8TLR7SMN1; SMN2POLBKDM4E
SCHEMBL11285197 0.85 TDP1 (0.48) SMN1; SMN2HDAC3HDAC1HDAC2HDAC4
SCHEMBL29922590 0.85 TDP1 (0.48) SMN1; SMN2HDAC3HDAC1HDAC2HDAC4
SCHEMBL21799890 0.80 HDAC3 (0.40) SMN1; SMN2HDAC3HDAC1HDAC2HDAC4
SCHEMBL29922632 0.80 HDAC3 (0.40) SMN1; SMN2HDAC3HDAC1HDAC2HDAC4
SCHEMBL23774851 0.79 MAPT (0.45) SMN1; SMN2POLBMAPTKDM4EGAA

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-110603273-B Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2022-10-14 CN disclosed