SCHEMBL7098161

SCHEMBL7098161

C=CCCc1ccccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.40
SIGMAR1 Q99720 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FDPS P14324 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
IDH1 O75874 1/20 0.33
POLB P06746 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL19285031 0.88 TLR8 (0.53) TLR8SIGMAR1CYP3A4ALOX15CASP1
SCHEMBL28371966 0.84 FDPS (0.35) TLR8SIGMAR1CYP3A4ALOX15CASP1
SCHEMBL3644364 0.78 PNMT (0.41) TLR8SMN1; SMN2ALDH1A1KDM4EUSP2
SCHEMBL5983920 0.78 FDPS (0.39) SIGMAR1CYP3A4ALOX15CASP1CASP7
SCHEMBL234864 0.78 CYP3A4 (0.53) SIGMAR1CYP3A4ALOX15CASP1CASP7
SCHEMBL11052 0.77 GABRA1 (0.47) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Hydrochloric Acid SCHEMBL7061051 0.77 FDPS (0.38) SIGMAR1CYP3A4ALOX15CASP1CASP7
Hydrochloric Acid SCHEMBL5940132 0.76 GABRA1 (0.45) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Water SCHEMBL10657212 0.76 GABRA1 (0.45) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Iodide SCHEMBL11631414 0.76 GABRA1 (0.45) CYP3A4ALOX15CASP1CASP7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630557-B2 Broad molecular weight distribution; to produce amphilic copolymers ZHU SHIPING (CA) 2003-10-07 US disclosed
US-20030078355-A1 Tertiary amine methacrylate-based macromonomers and polymers ZHU SHIPING (CA) 2003-04-24 US disclosed
WO-2001083424-A1 TERTIARY AMINE METHACRYLATE-BASED MACROMONOMERS AND POLYMERS ZHU SHIPING (CA) 2001-11-08 WO disclosed
US-5082940-A Selenium oxidation catalyst INTEROX (SOCIETE ANONYME) (BE) 1992-01-21 US disclosed
EP-0092862-B1 PROCESS FOR THE OXIDATION OF TERTIARY AMINES TO AMINE OXIDES THE PROCTER & GAMBLE COMPANY (US) 1986-03-12 EP disclosed
EP-0092862-A1 Process for the oxidation of tertiary amines to amine oxides THE PROCTER & GAMBLE COMPANY (US) 1983-11-02 EP disclosed