SCHEMBL20135832

SCHEMBL20135832

Cc1c(CCN[SH](=O)=O)ccc(OCC2CC2)c1-c1ccc(=O)n(C)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.47
HRH3 Q9Y5N1 2/20 0.34
PDE4B Q07343 1/20 0.34
GRM2 Q14416 3/20 0.33

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
SCHEMBL20135829 0.82 BRD4 (0.53) BRD4HRH3PDE4B
SCHEMBL15553164 0.78 BRD4 (0.54) BRD4HRH3PDE4B
SCHEMBL19638559 0.77 BRD4 (0.67) BRD4
SCHEMBL15551649 0.75 BRD4 (0.53) BRD4HRH3PDE4B
SCHEMBL20135831 0.74 BRD4 (0.61) BRD4
SCHEMBL15552656 0.74 BRD4 (0.55) BRD4HRH3
SCHEMBL28029408 0.71 BRD4 (0.51) BRD4HRH3
SCHEMBL28029767 0.70 BRD4 (0.53) BRD4HRH3
SCHEMBL20135826 0.68 BRD4 (0.49) BRD4
SCHEMBL19638611 0.67 BRD4 (0.72) 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
EP-2858990-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBVIE INC (US) 2018-05-16 EP claimed