SCHEMBL7302416

SCHEMBL7302416

COC(C)n1nc(-c2ccc(O)cc2)oc1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
FAAH O00519 5/20 0.39
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESR2 Q92731 4/20 0.35
ESR1 P03372 3/20 0.35
PDE4B Q07343 1/20 0.34
TYMP P19971 1/20 0.33

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
SCHEMBL3506409 0.73 KDM4E (0.33) NOTUMGAAKDM4EHPGD
SCHEMBL7302420 0.70 GAA (0.46) NOTUMGAA
SCHEMBL10705745 0.62 KMT2A (0.47) NOTUMFAAHGAAKDM4EHPGD
SCHEMBL12377823 0.61 NOTUM (0.49) NOTUMFAAHKDM4EHPGDSMN1; SMN2
SCHEMBL12128212 0.59 ALDH1A1 (0.52) GAAKDM4E
SCHEMBL9737564 0.58 RAB9A (0.58) HPGDKMT2ASMN1; SMN2ESR2ESR1
SCHEMBL9422430 0.58 CA1 (0.65) GAAKDM4EHPGDSMN1; SMN2ESR2
SCHEMBL23451693 0.57 NOTUM (1.00) NOTUMKDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL18121825 0.57 NOTUM (0.70) NOTUMGAAKDM4EHPGDKMT2A
SCHEMBL11857867 0.56 FAAH (0.46) FAAHESR1

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
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