SCHEMBL20043835

SCHEMBL20043835

C=NC/C(C#N)=C1C(=C/c2ccc(-c3ccc4c(c3)C(c3ccc(C)cc3)(c3ccc(C)cc3)c3c-4sc4c3C(c3ccc(C)cc3)(c3ccc(C)cc3)c3cc(-c5ccc(/C=C6\C(=O)c7ccccc7C6=C(C#N)C#N)s5)ccc3-4)s2)/C(=O)c2ccccc2/1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 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
SCHEMBL21709685 0.92 KMT2A (0.35) PRF1
SCHEMBL21706385 0.88 PRF1 (0.34) PRF1
SCHEMBL20044325 0.85 MGAT2 (0.32) PRF1
SCHEMBL22382821 0.80
SCHEMBL24637687 0.80 EGFR (0.39) PRF1
SCHEMBL20247155 0.79 MGAT2 (0.30)
SCHEMBL21156739 0.78 ALDH1A1 (0.32)
SCHEMBL24637688 0.78 PRF1 (0.31) PRF1
SCHEMBL21156751 0.77 ALDH1A1 (0.31)
SCHEMBL24637699 0.77 ALDH1A1 (0.32) PRF1

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
WO-2018065352-A1 ORGANIC PHOTODETECTOR MERCK PATENT GMBH (DE) 2018-04-12 WO disclosed
WO-2018065356-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2018-04-12 WO disclosed