SCHEMBL4083643

SCHEMBL4083643

CC(C)(CO)Nc1nc(-c2sc(C#N)cc2Br)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.39
ABL1 P00519 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TRPV4 Q9HBA0 5/20 0.34
PI4KB Q9UBF8 7/20 0.33
OPRM1 P35372 2/20 0.31
VCP P55072 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31

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
Hydrochloric Acid SCHEMBL4078444 0.99 PIK3CG (0.38) PIK3CGABL1KDM4ELMNAPOLB
Hydrochloric Acid SCHEMBL4075479 0.79 VCP (0.38) PIK3CGABL1KDM4ELMNAVCP
SCHEMBL3175801 0.72 VCP (0.58) KDM4ELMNAVCP
SCHEMBL3166410 0.71 CYP1A1 (0.51) ABL1KDM4EVCP
SCHEMBL4087254 0.70 VCP (0.35) ABL1KDM4ELMNAPOLBVCP
SCHEMBL4082457 0.70 VCP (0.35) PIK3CGKDM4ELMNATRPV4VCP
SCHEMBL4077729 0.70 MAPT (0.59) KDM4ELMNA
SCHEMBL3527848 0.70 SIRT5 (0.48) ABL1VCP
SCHEMBL4078682 0.69 MEN1 (0.52) ABL1VCP
SCHEMBL4394378 0.68 MAPT (0.44) LMNAVCP

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-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed