SCHEMBL4303210

SCHEMBL4303210

CC(=O)OC(=O)c1ccc2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.58
▸ KMT2A Q03164 3/20 0.55
▸ KDM4E B2RXH2 6/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ CNR2 P34972 2/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.51
▸ MAPT P10636 5/20 0.51
▸ GAA P10253 3/20 0.51
▸ HPGD P15428 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL3954441 0.89 MGAM (0.66) MGAMKMT2AKDM4ESMN1; SMN2CNR2
Boric Acid SCHEMBL8722291 0.84 MGAM (0.59) MGAMKMT2AKDM4ESMN1; SMN2CNR2
SCHEMBL10635595 0.83 MGAM (0.58) MGAMKMT2AKDM4ESMN1; SMN2CNR2
SCHEMBL725183 0.82 MGAM (0.61) MGAMKMT2AKDM4ESMN1; SMN2CNR2
SCHEMBL30208641 0.82 MGAM (0.61) MGAMKMT2AKDM4ESMN1; SMN2CNR2
SCHEMBL7163667 0.82 MGAM (0.53) MGAMKMT2AKDM4ESMN1; SMN2CNR2
Hydrochloric Acid SCHEMBL16793838 0.81 MGAM (0.59) MGAMKMT2AKDM4ESMN1; SMN2CNR2
Hydrochloric Acid SCHEMBL30615167 0.81 MGAM (0.59) MGAMKMT2AKDM4ESMN1; SMN2CNR2
SCHEMBL5176927 0.80 MGAM (0.63) MGAMKMT2AKDM4ESMN1; SMN2CNR2
SCHEMBL6955948 0.80 MGAM (0.63) MGAMKMT2AKDM4ESMN1; SMN2CNR2

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-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 — — EP disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 — — WO disclosed
Send feedback