SCHEMBL3893209

SCHEMBL3893209

Cc1ccc(C2C(=O)NC3(CCC(=Nc4ccccc4)CC3)C2=O)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 1/20 0.33
RNASEL Q05823 1/20 0.32
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8559348 0.79 PDE7A (0.45)
SCHEMBL6294797 0.74 ACACB (0.42) HTT
SCHEMBL3898654 0.72 MAPK1 (0.39) MAPTMAPK1ALDH1A1HTT
SCHEMBL13939966 0.72 ACACB (0.39) RNASELMAPK1
SCHEMBL12496757 0.68 PDE7A (0.45) ALDH1A1HTT
SCHEMBL7769002 0.67 KMT2A (0.42) ALDH1A1HTT
SCHEMBL8863053 0.67 KMT2A (0.42) ALDH1A1HTT
SCHEMBL8559775 0.66 TSHR (0.38) MAPK1ALDH1A1HTT
SCHEMBL8906325 0.65 THRB (0.43) MAPTALDH1A1HTT
SCHEMBL6767166 0.65 ALDH1A1 (0.36) MAPTALDH1A1

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-1017674-B1 UTILIZING SPIROCYCLIC PHENYL KETO-ENOLS AS PESTICIDES AND HERBICIDES BAYER CROPSCIENCE AG (DE) 2009-02-18 EP disclosed
US-6589976-B1 Particularly effective wood preservation is achieved by impregnation processes on a large industrial scale, for example vacuum, a double vacuum or pressure processes. BAYER AKTIENGESELLSCHAFT (DE) 2003-07-08 US disclosed