SCHEMBL4034103

SCHEMBL4034103

COc1cc(C=O)c(-c2cc(-c3nccs3)ccc2N)c(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.40
MAPT P10636 1/20 0.40
TUBB4A P04350 5/20 0.38
TUBB P07437 5/20 0.38
TUBA3C P0DPH7 5/20 0.38
TUBA1B P68363 5/20 0.38
TUBA4A P68366 5/20 0.38
TUBB4B P68371 5/20 0.38
TUBB3 Q13509 5/20 0.38
TUBB2A Q13885 5/20 0.38
TUBB8 Q3ZCM7 5/20 0.38
TUBA3E Q6PEY2 5/20 0.38
TUBA1A Q71U36 5/20 0.38
TUBA1C Q9BQE3 5/20 0.38
TUBB6 Q9BUF5 5/20 0.38
TUBB2B Q9BVA1 5/20 0.38
TUBB1 Q9H4B7 5/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
HDAC2 Q92769 1/20 0.37
CHEK2 O96017 1/20 0.36

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
SCHEMBL15225671 0.92 SMPD3 (0.40) SMPD3MAPTTUBB4ATUBBTUBA3C
SCHEMBL4039376 0.88 PTGDR2 (0.40) SMPD3MAPTTUBB4ATUBBTUBA3C
SCHEMBL15226001 0.87 SMPD3 (0.40) SMPD3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4034089 0.86 SMPD3 (0.46) SMPD3MAPTTUBB4ATUBBTUBA3C
SCHEMBL4042546 0.86 MAPT (0.43) SMPD3MAPTTUBB4ATUBBTUBA3C
SCHEMBL4034301 0.86 GABRA1 (0.41) SMPD3MAPTTUBB4ATUBBTUBA3C
SCHEMBL4040171 0.85 TUBB4A (0.41) SMPD3MAPTTUBB4ATUBBTUBA3C
SCHEMBL4039716 0.85 ERN1 (0.43) SMPD3MAPTTUBB4ATUBBTUBA3C
SCHEMBL4042076 0.84 MAPT (0.39) SMPD3MAPTTUBB4ATUBBTUBA3C
SCHEMBL15225783 0.83 ERN1 (0.49) MAPTTUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066632-B1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARM CORP (KR) 2013-09-04 EP disclosed
EP-2066632-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE Chong Kun Dang Pharmaceutical Corp. (KR) 2009-06-10 EP disclosed
WO-2008038955-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2008-04-03 WO disclosed