SCHEMBL14722871

SCHEMBL14722871

COc1ccc(C2=CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CCc3c2cc(OC)c(OC)c3OC)cc1NC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACLY P53396 9/20 0.34
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
LTB4R Q15722 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BTK Q06187 1/20 0.31
ABCB1 P08183 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
SCHEMBL14722106 0.86 TUBB4A (0.34)
SCHEMBL14722154 0.83 KDM4E (0.31) MEN1KMT2A
SCHEMBL14722316 0.80 MEN1 (0.35) ACLYRXFP1MEN1POLBKMT2A
SCHEMBL14721210 0.73 KDM4E (0.37) ACLYRXFP1MEN1POLBKMT2A
SCHEMBL14721728 0.73 DRD2 (0.31) MEN1KMT2A
SCHEMBL14725525 0.73 BTK (0.37) ALDH1A1BTK
SCHEMBL14723431 0.70 KDM4E (0.37) MEN1KMT2AALDH1A1
SCHEMBL14722069 0.69 TUBB1 (0.39) MEN1KMT2A
SCHEMBL14725387 0.68 EPHX2 (0.38) KMT2A
SCHEMBL14722314 0.68 CYP1A2 (0.34) MEN1KMT2A

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-2013026942-A1 TUBULIN BINDING AGENTS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2013-02-28 WO disclosed