SCHEMBL20155419

SCHEMBL20155419

CCN/C=C1\C(=N)C(c2cc(SC)ccc2OCC2CC2)=CN(C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.33
P2RX3 P56373 1/20 0.32

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
SCHEMBL20155051 0.80 BRD4 (0.35) BRD4P2RX3
SCHEMBL20155085 0.78 BRD4 (0.34) BRD4
SCHEMBL20155684 0.78 BRD4 (0.35) BRD4
SCHEMBL20155394 0.70 BRD4 (0.34) BRD4
SCHEMBL20155586 0.67 BRD4 (0.36) BRD4
SCHEMBL20155531 0.67 BRD4 (0.41) BRD4
SCHEMBL25043211 0.67 BRD4 (0.43) BRD4
SCHEMBL19931377 0.66 BRD4 (0.54) BRD4
SCHEMBL20118620 0.66 BRD4 (0.37) BRD4P2RX3
SCHEMBL20155340 0.66 BRD4 (0.40) BRD4

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
WO-2018086604-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO disclosed