SCHEMBL19980893

SCHEMBL19980893

C=C(C)C(=O)OCCN(CCOC(=O)C(=C)C)c1ccc(NNc2c(C#N)cc(CCCC)cc2C#N)c(NC(C)=O)c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.31
SLC16A1 P53985 2/20 0.31
TSHR P16473 2/20 0.31
KCNQ4 P56696 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
SCHEMBL10119239 0.84 MAPT (0.31) SLC16A3SLC16A1
SCHEMBL19980976 0.71 HDAC1 (0.41) TSHR
SCHEMBL15003834 0.69
SCHEMBL626835 0.69 MAPT (0.33) SLC16A3SLC16A1TSHR
SCHEMBL626834 0.69 MAPT (0.33) SLC16A3SLC16A1TSHR
SCHEMBL10119221 0.68 RECQL (0.36)
SCHEMBL12598473 0.68 TSHR (0.47) TSHR
SCHEMBL19980985 0.68 HDAC1 (0.38) TSHR
SCHEMBL623559 0.67
SCHEMBL10119020 0.67

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-2601268-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed