SCHEMBL13475615

SCHEMBL13475615

C=C(C)c1ccc(C2(OC)c3cc(Br)ccc3-c3ccc(Br)cc3C2(OC)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDK2 Q15119 1/20 0.32
HDAC1 Q13547 1/20 0.31
MAP3K5 Q99683 1/20 0.30
THRB P10828 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
SCHEMBL2764075 0.89 MEN1 (0.35) MEN1KMT2ASMN1; SMN2PDK2
SCHEMBL13475617 0.79
SCHEMBL11918803 0.74 MEN1 (0.35) MEN1KMT2ASMN1; SMN2PDK2
SCHEMBL2763690 0.73 PDK2 (0.44) MEN1KMT2ASMN1; SMN2PDK2HDAC1
SCHEMBL18561058 0.73 PDK2 (0.37) PDK2
SCHEMBL14214230 0.72 MEN1 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL14136949 0.72 MEN1 (0.33) MEN1KMT2ASMN1; SMN2PDK2
SCHEMBL20198314 0.70
SCHEMBL465848 0.69 TSHR (0.52) MEN1KMT2ASMN1; SMN2HDAC1
SCHEMBL13708952 0.68 KIF11 (0.37) MEN1KMT2ASMN1; SMN2PDK2THRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed