SCHEMBL4039129

SCHEMBL4039129

COc1cc(C=O)c(-c2cc(-c3nccs3)ccc2-c2cnco2)c(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 17/20 0.38
IMPDH1 P20839 4/20 0.38
MAPT P10636 1/20 0.37
SMPD3 Q9NY59 1/20 0.35

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
SCHEMBL4042076 0.85 MAPT (0.39) MAPTSMPD3
SCHEMBL4042546 0.85 MAPT (0.43) MAPTSMPD3
SCHEMBL4034301 0.83 GABRA1 (0.41) MAPTSMPD3
SCHEMBL4039716 0.82 ERN1 (0.43) MAPTSMPD3
SCHEMBL4034089 0.82 SMPD3 (0.46) MAPTSMPD3
SCHEMBL4034103 0.81 SMPD3 (0.40) MAPTSMPD3
SCHEMBL15225671 0.81 SMPD3 (0.40) MAPTSMPD3
SCHEMBL4040171 0.81 TUBB4A (0.41) MAPTSMPD3
SCHEMBL4036344 0.78 SMPD3 (0.41) MAPTSMPD3
SCHEMBL1308980 0.77 SMPD3 (0.40) MAPTSMPD3

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