SCHEMBL6955948

SCHEMBL6955948

[CH]OC(=O)c1ccc2ccccc2n1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.63
KDM4E B2RXH2 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CNR2 P34972 4/20 0.58
HDAC8 Q9BY41 1/20 0.58
MAPT P10636 4/20 0.56
ALDH1A1 P00352 4/20 0.56
GAA P10253 2/20 0.56
KMT2A Q03164 2/20 0.55
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MEN1 O00255 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HPGD P15428 1/20 0.50
KDM4C Q9H3R0 1/20 0.50

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 0.86 MGAM (0.66) MGAMKDM4ESMN1; SMN2CNR2HDAC8
SCHEMBL5176927 0.85 MGAM (0.63) MGAMKDM4ESMN1; SMN2CNR2HDAC8
SCHEMBL27643442 0.83 MAPT (0.61) MGAMKDM4ESMN1; SMN2CNR2HDAC8
SCHEMBL4302912 0.83 MGAM (0.61) MGAMKDM4ESMN1; SMN2CNR2HDAC8
SCHEMBL30208641 0.83 MGAM (0.61) MGAMKDM4ESMN1; SMN2CNR2HDAC8
SCHEMBL28908992 0.83 MAPT (0.61) MGAMKDM4ESMN1; SMN2CNR2HDAC8
SCHEMBL4606005 0.83 MGAM (0.61) MGAMKDM4ESMN1; SMN2CNR2HDAC8
SCHEMBL725183 0.83 MGAM (0.61) MGAMKDM4ESMN1; SMN2CNR2HDAC8
SCHEMBL28990407 0.83 MGAM (0.61) MGAMKDM4ESMN1; SMN2CNR2HDAC8
Hydrochloric Acid SCHEMBL16793838 0.81 MGAM (0.59) MGAMKDM4ESMN1; SMN2CNR2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765160-B1 DEXANABINOL DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE PHARMACEUTICAL COMPOSITIONS UNIV RAMOT (IL) 2003-04-16 EP claimed
US-6096740-A BLOCK N-METHYL-ASPARTATE RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH AND INDUSTRIAL DEVELOPMENT LTD. (IL) 2000-08-01 US claimed
EP-0765160-A4 1997-04-09 EP claimed
EP-0765160-A1 DEXANABINOL DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE PHARMACEUTICAL COMPOSITIONS RAMOT UNIVERSITY, AUTHORITY FOR APPLIED RESEARCH & INDUSTRIAL DEVELOPMENT LTD. (IL) 1997-04-02 EP claimed
WO-1995020958-A1 DEXANABINOL DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE PHARMACEUTICAL COMPOSITIONS RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH AND INDUSTRIAL DEVELOPMENT LTD. (IL) 1995-08-10 WO claimed