SCHEMBL4036168

SCHEMBL4036168

COc1cc(C=O)c(-c2cc(-c3ccco3)ccc2NCc2ccccc2)c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.42
ABCB1 P08183 1/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
KLKB1 P03952 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KMT2A Q03164 3/20 0.37
TUBB4A P04350 3/20 0.37
TUBB P07437 3/20 0.37
TUBA3C P0DPH7 3/20 0.37
TUBA1B P68363 3/20 0.37
TUBA4A P68366 3/20 0.37
TUBB4B P68371 3/20 0.37
TUBB3 Q13509 3/20 0.37
TUBB2A Q13885 3/20 0.37
TUBB8 Q3ZCM7 3/20 0.37
TUBA3E Q6PEY2 3/20 0.37
TUBA1A Q71U36 3/20 0.37

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
SCHEMBL4038387 0.87 ERN1 (0.46) ERN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL15226057 0.86 ERN1 (0.43) ERN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL4035765 0.86 ERN1 (0.47) ERN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL4036647 0.85 ERN1 (0.44) ERN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL4039533 0.85 ERN1 (0.44) ERN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL15226080 0.82 ERN1 (0.52) ERN1TP53POLBKMT2ATUBB4A
SCHEMBL15225776 0.80 ERN1 (0.46) ERN1TP53KMT2ATUBB4ATUBB
SCHEMBL4036525 0.80 ERN1 (0.55) ERN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL4043040 0.80 ERN1 (0.49) ERN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL4037959 0.80 ERN1 (0.49) ERN1TP53KMT2ATUBB4ATUBB

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
EP-2066632-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE Chong Kun Dang Pharmaceutical Corp. (KR) 2009-06-10 EP claimed
WO-2008038955-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2008-04-03 WO claimed