SCHEMBL20043747

SCHEMBL20043747

CCCCCCc1cc(CCCCCC)cc(C2(c3cc(CCCCCC)cc(CCCCCC)c3)c3cc(-c4ccc(/C=C5\C(=O)c6ccccc6C5=C(C#N)C#N)s4)ccc3-c3sc4c5c(sc4c32)-c2ccc(-c3ccc(/C=C4\C(=O)c6ccccc6C4=C(C#N)C#N)s3)cc2C5(c2cc(CCCCCC)cc(CCCCCC)c2)c2cc(CCCCCC)cc(CCCCCC)c2)c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 3/20 0.31
APP P05067 1/20 0.31
SNCA P37840 1/20 0.31
PTPN1 P18031 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
SCHEMBL20042489 0.93
SCHEMBL20044396 0.93
SCHEMBL20363807 0.89 APP (0.30) APPSNCA
SCHEMBL20044325 0.88 MGAT2 (0.32) PRF1APPSNCA
SCHEMBL20247155 0.86 MGAT2 (0.30)
SCHEMBL21706385 0.85 PRF1 (0.34) PRF1APPSNCA
SCHEMBL20043976 0.81 KDM4E (0.30)
SCHEMBL20043746 0.80 PRF1 (0.36) PRF1APP
SCHEMBL21709685 0.80 KMT2A (0.35) PRF1APPSNCA
SCHEMBL15592601 0.80 PRF1 (0.36) PRF1APPSNCAPTPN1

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