SCHEMBL2311699

SCHEMBL2311699

CNC(=O)c1ccc2[nH]c(-c3cccc4c3-c3ccccc3[C@H]4C(N)=O)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.45
CHEK2 O96017 3/20 0.44
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
AURKA O14965 1/20 0.41
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
APLNR P35414 3/20 0.40
CYP3A4 P08684 1/20 0.39
DGAT1 O75907 1/20 0.39
F2 P00734 1/20 0.39
F9 P00740 1/20 0.39
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
PRSS1 P07477 1/20 0.39

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
SCHEMBL2314905 0.88 SMN1; SMN2 (0.46) HSP90AB1CHEK2HDAC6HDAC3HDAC1
SCHEMBL2312012 0.88 HSP90AB1 (0.45) HSP90AB1CHEK2HDAC6HDAC3HDAC1
SCHEMBL2315193 0.86 CDK1 (0.46) HSP90AB1CHEK2HDAC6HDAC3HDAC1
SCHEMBL2310429 0.85 KDM4E (0.45) HSP90AB1HDAC6HDAC3HDAC1HDAC2
SCHEMBL2311768 0.84 KDM4E (0.48) HSP90AB1CHEK2
SCHEMBL2314500 0.83 HSP90AB1 (0.43) HSP90AB1F2F9F10PLG
SCHEMBL2314109 0.83 HSP90AB1 (0.43) HSP90AB1CHEK2F2F10PLG
SCHEMBL2311956 0.82 RAB9A (0.54) HSP90AB1
SCHEMBL2311056 0.82 ATR (0.48)
SCHEMBL2310280 0.82 KDR (0.50) AURKA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888579-B1 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA SA (FR) 2011-08-03 EP claimed
EP-1888579-A2 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF Aventis Pharma S.A. (FR) 2008-02-20 EP claimed
WO-2006123061-A2 FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-11-23 WO claimed
EP-1888579-B1 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA SA (FR) 2011-08-03 EP disclosed
EP-1888579-A2 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF Aventis Pharma S.A. (FR) 2008-02-20 EP disclosed
WO-2006123061-A2 FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-11-23 WO disclosed