SCHEMBL4042546

SCHEMBL4042546

COc1cc(C=O)c(-c2cc(-c3nccs3)ccc2-c2ccncc2)c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
SMPD3 Q9NY59 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ERN1 O75460 4/20 0.38
SCN9A Q15858 1/20 0.38
TUBB4A P04350 5/20 0.36
TUBB P07437 5/20 0.36
TUBA3C P0DPH7 5/20 0.36
TUBA1B P68363 5/20 0.36
TUBA4A P68366 5/20 0.36
TUBB4B P68371 5/20 0.36
TUBB3 Q13509 5/20 0.36
TUBB2A Q13885 5/20 0.36
TUBB8 Q3ZCM7 5/20 0.36
TUBA3E Q6PEY2 5/20 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
SCHEMBL4034301 0.92 GABRA1 (0.41) MAPTGABRA1GABRG2GABRB3GABRA3
SCHEMBL4039716 0.91 ERN1 (0.43) MAPTSMPD3PTGDR2ERN1SCN9A
SCHEMBL4042076 0.90 MAPT (0.39) MAPTGABRA1GABRG2GABRB3GABRA3
SCHEMBL4034089 0.87 SMPD3 (0.46) MAPTSMPD3PTGDR2ERN1TUBB4A
SCHEMBL4040171 0.86 TUBB4A (0.41) MAPTSMPD3PTGDR2ERN1SCN9A
SCHEMBL4034103 0.86 SMPD3 (0.40) MAPTSMPD3PTGDR2ERN1TUBB4A
SCHEMBL15225671 0.86 SMPD3 (0.40) MAPTSMPD3PTGDR2ERN1SCN9A
SCHEMBL4039129 0.85 IMPDH2 (0.38) MAPTSMPD3
SCHEMBL4035391 0.82 PTGDR2 (0.40) MAPTSMPD3PTGDR2ERN1TUBB4A
SCHEMBL4209454 0.81 TUBB4A (0.40) MAPTGABRA1GABRG2GABRB3GABRA3

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