SCHEMBL326994

SCHEMBL326994

O=C1C=C(N(c2ccccc2Cc2ccc(Cl)nc2)C2CC2)CO1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
CHRM1 P11229 8/20 0.34
KDM1A O60341 3/20 0.34
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL120492 0.75 PSEN1 (0.36)
SCHEMBL21173700 0.75 PSEN1 (0.32) KDM1AMAOAMAOBKDM4EGAA
SCHEMBL29450008 0.73 NFE2L2 (0.35) KDM1AMAOAMAOBKDM4EGAA
SCHEMBL28892318 0.73 NAMPT (0.34) KDM1AMAOAMAOBKDM4EGAA
SCHEMBL3025243 0.72 L3MBTL1 (0.42) KDM1AMAOAMAOBKDM4EGAA
SCHEMBL28892325 0.72 ALDH1A1 (0.38) KDM1AKDM4EGAAMAPTL3MBTL1
SCHEMBL30025624 0.70 LTC4S (0.37) KDM1A
SCHEMBL119406 0.70 ALDH1A1 (0.37) L3MBTL1
SCHEMBL29728033 0.70 ALDH1A1 (0.37) L3MBTL1
SCHEMBL29449998 0.69 ALDH1A1 (0.31) KDM1AMAOAMAOBL3MBTL1

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-2590964-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVE AS A PESTICIDE Bayer Intellectual Property GmbH (DE) 2013-05-15 EP disclosed
WO-2012004208-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVE AS A PESTICIDE BAYER CROPSCIENCE AG (DE) 2012-01-12 WO disclosed