SCHEMBL14725539

SCHEMBL14725539

COc1ccc(C2=C/C(=N/O)CCc3c2cc(OC)c(OC)c3OC)cc1OSC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 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
SCHEMBL14725538 0.85 KDM4E (0.39) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL14725260 0.85 TUBB4A (0.41) EGFRKDM4EMEN1MAPTKMT2A
SCHEMBL14725480 0.76 CA1 (0.33)
SCHEMBL14725338 0.75 TUBB4A (0.37) KDM4EMAPTALDH1A1
SCHEMBL14725455 0.73 TUBB4A (0.33) KDM4EMAPTALDH1A1
SCHEMBL14721851 0.70 TUBB4A (0.48) KDM4EALDH1A1HPGD
SCHEMBL14722159 0.68 KDM4E (0.32) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL14722163 0.68 KDM4E (0.32) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL14722148 0.68 TUBB4A (0.48) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL14721749 0.67 TUBB4A (0.36) ALDH1A1

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