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SCHEMBL532582

SCHEMBL532582

O=C=Nc1cc(N=C=O)cc(N=C=O)c1.O=C=Nc1ccccc1C(c1ccccc1N=C=O)c1ccccc1N=C=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL365140 0.90 CYP3A4 (0.50) CYP3A4TRPA1TDP1TSHRALDH1A1
SCHEMBL15738978 0.85 CYP3A4 (0.45) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL374655 0.82 CYP3A4 (0.40) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL11468798 0.82 CYP3A4 (0.40) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL300705 0.79 CYP3A4 (0.44) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL5710293 0.78 CYP3A4 (0.38) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL671741 0.76 CYP3A4 (0.54) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL10874852 0.75 CYP3A4 (0.37) CYP3A4
SCHEMBL462794 0.75 CYP3A4 (0.52) CYP3A4TRPA1TDP1TSHRALDH1A1
SCHEMBL17593362 0.75 CYP3A4 (0.47) CYP3A4TRPA1TDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415797-A1 Modified alkoxylation products comprising at least one non-terminal alkoxysilyl group Evonik Goldschmidt GmbH (DE) 2012-02-08 — — EP disclosed