SCHEMBL4040171

SCHEMBL4040171

COc1cc(C=O)c(-c2ccc(-c3nccs3)cc2F)c(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.41
TUBB P07437 4/20 0.41
TUBA3C P0DPH7 4/20 0.41
TUBA1B P68363 4/20 0.41
TUBA4A P68366 4/20 0.41
TUBB4B P68371 4/20 0.41
TUBB3 Q13509 4/20 0.41
TUBB2A Q13885 4/20 0.41
TUBB8 Q3ZCM7 4/20 0.41
TUBA3E Q6PEY2 4/20 0.41
TUBA1A Q71U36 4/20 0.41
TUBA1C Q9BQE3 4/20 0.41
TUBB6 Q9BUF5 4/20 0.41
TUBB2B Q9BVA1 4/20 0.41
TUBB1 Q9H4B7 4/20 0.41
SMPD3 Q9NY59 1/20 0.40
MAPT P10636 2/20 0.40
SCN9A Q15858 2/20 0.37
ERN1 O75460 5/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL4034089 0.88 SMPD3 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15225671 0.88 SMPD3 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4034301 0.86 GABRA1 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4042546 0.86 MAPT (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4034103 0.85 SMPD3 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4039716 0.85 ERN1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4042076 0.84 MAPT (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15225935 0.83 ERN1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4039129 0.81 IMPDH2 (0.38) SMPD3MAPT
SCHEMBL4209454 0.80 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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