SCHEMBL9015022

SCHEMBL9015022

CCCCC(CC)C(N=C=O)N=C=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA2 P00918 5/20 0.33
MAPK1 P28482 1/20 0.33
CA1 P00915 3/20 0.32
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 1/20 0.30
FDPS P14324 1/20 0.30
DNM1 Q05193 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
SCHEMBL25170631 0.94 MAPT (0.34) CA1FDPS
SCHEMBL25169841 0.92 MAPT (0.37) CA2FDPSDNM1
SCHEMBL25176273 0.92 MAPT (0.37) CA2FDPSDNM1
SCHEMBL27496253 0.88 TSHR (0.30) TSHRSMN1; SMN2FDPSDNM1
SCHEMBL14335902 0.87 LMNA (0.32)
SCHEMBL28848001 0.84
SCHEMBL21291756 0.83 CA2 (0.38) TSHRSMN1; SMN2CA2MAPK1CA1
SCHEMBL25170610 0.82
SCHEMBL5600562 0.78
SCHEMBL25173648 0.77 TSHR (0.31) TSHRSMN1; SMN2CA2MAPK1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
WO-2013110504-A1 RADIATION-CURABLE ANTIMICROBIAL COATINGS BASF SE (DE) 2013-08-01 WO disclosed
EP-0745108-A1 ELASTICITY IMPARTING AGENTS FOR PAINTS, A METHOD OF MANUFACTURE AND PAINTS BASF Lacke + Farben AG (DE) 1996-12-04 EP disclosed