SCHEMBL7301708

SCHEMBL7301708

O=c1[nH]nc(-c2ccc(OCc3ccccc3)cc2)o1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.62
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
GSTP1 P09211 1/20 0.52
PTGES O14684 1/20 0.51
ALOX5 P09917 1/20 0.51
LTC4S Q16873 1/20 0.51
MAOB P27338 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
SCHEMBL7454214 0.85 NOTUM (0.64) NOTUMMEN1KMT2APTGES
SCHEMBL24548630 0.80 NOTUM (0.50) NOTUMMEN1KMT2A
SCHEMBL6748172 0.78 BRD4 (0.56) NOTUMMAOB
SCHEMBL29717244 0.76 NOTUM (0.49) NOTUMMEN1KMT2APTGES
SCHEMBL29147534 0.76 LTA4H (0.47) MAOB
SCHEMBL189126 0.75 PSMB8 (0.63) MEN1KMT2AGSTP1MAOB
SCHEMBL2492377 0.74 NOTUM (0.46) NOTUM
SCHEMBL29147860 0.74 NPC1 (0.51) MAOB
SCHEMBL29125684 0.73 ALDH1A1 (0.48) NOTUMMEN1KMT2A
SCHEMBL7298311 0.73 NOTUM (0.63) NOTUMMEN1KMT2A

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
EP-0655445-B1 1,3,4-oxadiazol-2(3H)-one Derivates, their preparation and their use as monoamine oxidase inhibitors SYNTHELABO (FR) 1997-08-27 EP disclosed
US-5525619-A INHIBITORS OF MONOAMINE OXIDASE B SYNTHELABO (FR) 1996-06-11 US disclosed
EP-0655445-A1 1,3,4-oxadiazol-2(3H)-one Derivates, their preparation and their use as monoamine oxidase inhibitors SYNTHELABO (FR) 1995-05-31 EP disclosed