SCHEMBL14822882

SCHEMBL14822882

CC1(C)Oc2cc(N[SH](=O)=O)cc(Cl)c2C(c2ccc(F)cc2)=C1C#N

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.33
NR3C2 P08235 1/20 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
SCHEMBL14822873 0.90 BRD4 (0.33) BRD4NR3C2
SCHEMBL14670261 0.86 BRD4 (0.36) BRD4NR3C2
SCHEMBL3011701 0.85 NR3C2 (0.45) BRD4NR3C2
SCHEMBL14666722 0.84 BRD4 (0.30) BRD4NR3C2
SCHEMBL14670458 0.75 BRD4 (0.32) BRD4
SCHEMBL3018663 0.74 NR3C2 (0.47) BRD4NR3C2
SCHEMBL14670427 0.74 BRD4 (0.35) BRD4NR3C2
SCHEMBL15049811 0.74 NR3C2 (0.31) NR3C2
SCHEMBL12085073 0.74 NR3C2 (0.31) NR3C2
SCHEMBL14666721 0.74 NR3C2 (0.31) NR3C2

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
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed