SCHEMBL19677378

SCHEMBL19677378

O=[SH](=O)c1ccccc1-c1cccc2c1[nH]c1c3c(ccc12)C1(c2ccccc2-c2ccccc21)c1ccccc1-3

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.31

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
SCHEMBL15840200 0.80 CDK4 (0.41) PARP14
SCHEMBL31632211 0.76 KIF11 (0.45) PARP14
SCHEMBL15824466 0.76 KIF11 (0.45) PARP14
SCHEMBL29506370 0.76 KIF11 (0.45) PARP14
SCHEMBL20199566 0.75 KIF11 (0.45)
SCHEMBL20199544 0.74 KIF11 (0.44) PARP14
SCHEMBL18156837 0.74 CDK4 (0.33) PARP14
SCHEMBL15840146 0.74 KIF11 (0.46) PARP14
SCHEMBL31627624 0.73 CDK4 (0.32)
SCHEMBL17380889 0.72 CDK4 (0.36) PARP14

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-3110796-B1 MATERIALS FOR ORGANIC LIGHT-EMITTING DEVICES MERCK PATENT GMBH (DE) 2017-12-06 EP disclosed