SCHEMBL9687418

SCHEMBL9687418

CCOc1c(Cc2cc(OC)c(OC)c(OC)c2)[nH]c(=O)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
DHFR P00374 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
PDE4B Q07343 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TUBB4A P04350 2/20 0.30
TUBB P07437 2/20 0.30
TUBA3C P0DPH7 2/20 0.30
TUBA1B P68363 2/20 0.30
TUBA4A P68366 2/20 0.30
TUBB4B P68371 2/20 0.30
TUBB3 Q13509 2/20 0.30
TUBB2A Q13885 2/20 0.30

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
SCHEMBL9160957 0.91 SMN1; SMN2 (0.33) SMN1; SMN2PTGS2MEN1KMT2ATUBB4A
SCHEMBL9159345 0.86 PTGS2 (0.38) SMN1; SMN2PTGS2MEN1KMT2ATUBB4A
SCHEMBL9164191 0.84 TUBB1 (0.37) SMN1; SMN2PTGS2MEN1KMT2ATUBB4A
SCHEMBL9687366 0.73 PDE2A (0.41) SMN1; SMN2MEN1KMT2A
SCHEMBL9687454 0.65 MEN1 (0.39) MEN1KMT2AMAPT
SCHEMBL9025791 0.63 KMT2A (0.36) POLBSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5572443 0.63 PTGS2 (0.59) PTGS2HTR2AHTR2CHTR2BMAPT
SCHEMBL8910416 0.60 PTGS2 (0.70) DHFRPTGS2MEN1KMT2AHTR2A
SCHEMBL10998613 0.57 PTGS2 (0.59) PTGS2HTR2AHTR2CHTR2BGAA
SCHEMBL7714729 0.57 DHFR (0.58) DHFRSMN1; SMN2MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed