SCHEMBL10921966

SCHEMBL10921966

[O-][n+]1cccc(-c2[c]nccn2)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 1/20 0.32
CES2 O00748 1/20 0.32
TDO2 P48775 1/20 0.32
KDR P35968 2/20 0.32
CYP2C9 P11712 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL559143 0.74 MTOR (0.39) MEN1KMT2A
SCHEMBL9716225 0.71 MEN1 (0.48) MEN1KMT2ATDO2CYP2C9GPR84
SCHEMBL4764633 0.68 LMNA (0.37)
SCHEMBL10845214 0.67 NOTUM (0.50) MEN1KMT2ATDO2CYP2C9L3MBTL1
SCHEMBL8090131 0.66 MAPT (0.43) CYP2C9
SCHEMBL7500881 0.66 CYP17A1 (0.42) MEN1KMT2A
SCHEMBL9955444 0.66 NISCH (0.40) MEN1KMT2A
SCHEMBL1585710 0.65 L3MBTL1 (0.50) MEN1KMT2AFAAHTDO2GPR84
SCHEMBL29819779 0.65 CYP2A6 (0.58) MEN1CYP2C9L3MBTL1
SCHEMBL5902309 0.64 PDPK1 (0.56) MEN1KMT2AKDR

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-0074018-B1 PYRIDINE AND PYRAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THESE COMPOUNDS, FUNGICIDES CONTAINING THESE COMPOUNDS AS ACTIVE SUBSTANCES, USE OF THESE COMPOUNDS OR FUNGICIDES TO COMBAT FUNGI IN AGRICULTURE AND IN HORTICULTURE, AND KETONES AND FUNGICIDES CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-09-24 EP claimed