SCHEMBL17847467

SCHEMBL17847467

O=C=Nc1ccccc1-c1ccccc1CS

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
IDO1 P14902 1/20 0.35
TRPA1 O75762 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
SCHEMBL8858812 0.85 CYP3A4 (0.44) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL2783302 0.85 CYP3A4 (0.47) CYP3A4GABRA1GABRB2IDO1TRPA1
SCHEMBL10435889 0.84 GABRA1 (0.53) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL112824 0.82 CYP3A4 (0.56) CYP3A4GABRA1GABRB2IDO1TRPA1
SCHEMBL28477580 0.81 CYP3A4 (0.40) CYP3A4GABRA1GABRB2
SCHEMBL29099802 0.80 CYP3A4 (0.54) CYP3A4GABRA1GABRB2IDO1TRPA1
SCHEMBL17847443 0.79 GABRA1 (0.44) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL3223815 0.78 CYP3A4 (0.38) CYP3A4GABRA1GABRB2
SCHEMBL17847485 0.77 CYP3A4 (0.43) CYP3A4GABRA1GABRB2
SCHEMBL17473001 0.74 CYP3A4 (0.39) CYP3A4GABRA1GABRB2

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
CN-107223121-B Wet stable holographic media 科思创德国股份有限公司 2020-10-27 CN disclosed
EP-3233791-B1 MOISTURE STABLE HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2020-08-12 EP disclosed
EP-3233791-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA Covestro Deutschland AG (DE) 2017-10-25 EP disclosed
WO-2016096641-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2016-06-23 WO disclosed