SCHEMBL28661902

SCHEMBL28661902

CCCNc1nccc(NCCCCCN)n1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DNM2 P50570 6/20 0.64
▸ HRH3 Q9Y5N1 3/20 0.54
▸ STK17A Q9UEE5 1/20 0.53
▸ TLR8 Q9NR97 1/20 0.52
▸ HRH4 Q9H3N8 4/20 0.52
▸ MERTK Q12866 1/20 0.50
▸ MAPK8 P45983 1/20 0.44
▸ DYRK1B Q9Y463 2/20 0.43
▸ NUDT1 P36639 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41

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
SCHEMBL19476564 0.88 TLR8 (0.63) DNM2HRH3STK17ATLR8HRH4
SCHEMBL19477222 0.88 TLR8 (0.63) DNM2HRH3STK17ATLR8HRH4
SCHEMBL1401613 0.85 DNM2 (0.78) DNM2HRH3STK17ATLR8HRH4
SCHEMBL19477219 0.83 DNM2 (0.71) DNM2HRH3STK17ATLR8HRH4
SCHEMBL11289519 0.80 DNM2 (0.71) DNM2HRH3TLR8HRH4MERTK
SCHEMBL11280972 0.80 DNM2 (0.71) DNM2HRH3TLR8HRH4MERTK
SCHEMBL4716836 0.77 HRH3 (0.45) DNM2HRH3STK17AHRH4DYRK1B
SCHEMBL12280402 0.75 DYRK1B (0.46) DNM2HRH3HRH4DYRK1B
SCHEMBL16450076 0.74 HTR7 (0.51) DNM2
SCHEMBL19476566 0.74 DNM2 (0.80) DNM2HRH3TLR8HRH4MERTK

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
CN-112778480-B Solvent-free polyurethane dispersion with good compatibility with butyronitrile latex and emulsion for glove coating 南京优迪新材料科技有限公司 2022-07-26 — — CN disclosed
CN-111019077-B Solvent-free polyurethane dispersion with controllable particle size and aqueous polyurethane coating liquid 红宝丽集团股份有限公司 2021-12-24 — — CN disclosed
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