SCHEMBL9160957

SCHEMBL9160957

COc1cc(Cc2[nH]c(=O)c(CC(C)C)[n+]([O-])c2OC)cc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
PTGS2 P35354 1/20 0.33
TUBB4A P04350 3/20 0.33
TUBB P07437 3/20 0.33
TUBA3C P0DPH7 3/20 0.33
TUBA1B P68363 3/20 0.33
TUBA4A P68366 3/20 0.33
TUBB4B P68371 3/20 0.33
TUBB3 Q13509 3/20 0.33
TUBB2A Q13885 3/20 0.33
TUBB8 Q3ZCM7 3/20 0.33
TUBA3E Q6PEY2 3/20 0.33
TUBA1A Q71U36 3/20 0.33
TUBA1C Q9BQE3 3/20 0.33
TUBB6 Q9BUF5 3/20 0.33
TUBB2B Q9BVA1 3/20 0.33
TUBB1 Q9H4B7 3/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32

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
SCHEMBL9687418 0.91 POLB (0.34) SMN1; SMN2PTGS2TUBB4ATUBBTUBA3C
SCHEMBL9159345 0.88 PTGS2 (0.38) SMN1; SMN2PTGS2TUBB4ATUBBTUBA3C
SCHEMBL9164191 0.88 TUBB1 (0.37) SMN1; SMN2PTGS2TUBB4ATUBBTUBA3C
SCHEMBL9687366 0.78 PDE2A (0.41) SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL9687454 0.70 MEN1 (0.39) KMT2AKDM4EMEN1HSD17B10
SCHEMBL9025791 0.68 KMT2A (0.36) SMN1; SMN2KMT2AMEN1CA12CA1
SCHEMBL9471009 0.67 CREBBP (0.36) SMN1; SMN2KMT2AKDM4EMEN1HSD17B10
SCHEMBL5572443 0.66 PTGS2 (0.59) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8910416 0.62 PTGS2 (0.70) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9688966 0.61 LIPG (0.34) SMN1; SMN2TSHR

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
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed