SCHEMBL29922786

SCHEMBL29922786

CC(C)CCCc1cccc(N)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.38
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
PIK3CA P42336 1/20 0.32
AKT1 P31749 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ESR1 P03372 1/20 0.31
KCNH2 Q12809 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
PARP1 P09874 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN2A Q12879 1/20 0.30

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
SCHEMBL6284703 0.85 SIGMAR1 (0.39) SLC6A2SLC6A4SLC6A3CYP3A4TDP1
SCHEMBL659538 0.79 TLR8 (0.42) CD44
SCHEMBL7637846 0.78 SLC6A2 (0.41) GABRA1GABRB2SLC6A2SLC6A4SLC6A3
SCHEMBL3482721 0.77 CD44 (0.46) CD44CYP3A4TSHRPIK3CAKEAP1
SCHEMBL4763408 0.77 BID (0.47) KCNH2PARP1
SCHEMBL16101465 0.76 GABRA1 (0.54) CD44GABRA1GABRB2SLC6A2SLC6A4
SCHEMBL9163528 0.76 BID (0.50) KCNH2PARP1
SCHEMBL9166810 0.76 BID (0.50) KCNH2PARP1
SCHEMBL9168071 0.76 BID (0.50) KCNH2PARP1
SCHEMBL8088586 0.76 BID (0.50) KCNH2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3623398-B1 RESIN COMPOSITION COMPRISING A MODIFIED BLOCK COPOLYMER AND METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER ASAHI CHEMICAL IND (JP) 2024-08-28 EP disclosed
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