SCHEMBL2310429

SCHEMBL2310429

NC(=O)[C@@H]1c2ccccc2-c2c(-c3nc4cc(C(=O)NCCCO)ccc4[nH]3)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ATR Q13535 2/20 0.44
FLT3 P36888 4/20 0.44
HSP90AB1 P08238 4/20 0.44
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
CASP6 P55212 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 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
SCHEMBL2311768 0.92 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10FLT3
SCHEMBL2311056 0.86 ATR (0.48) KDM4EALDH1A1HSD17B10ATRMEN1
SCHEMBL2311699 0.85 HSP90AB1 (0.45) HSP90AB1HDAC3HDAC1HDAC2HDAC8
SCHEMBL2312012 0.83 HSP90AB1 (0.45) KDM4EALDH1A1HPGDHSP90AB1HDAC3
SCHEMBL2314905 0.82 SMN1; SMN2 (0.46) KDM4EALDH1A1HPGDHSP90AB1HDAC3
SCHEMBL2312032 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10FLT3
SCHEMBL2312038 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10FLT3
SCHEMBL2315193 0.80 CDK1 (0.46) KDM4EATRHSP90AB1HDAC3HDAC1
SCHEMBL2314500 0.79 HSP90AB1 (0.43) KDM4EALDH1A1HPGDHSP90AB1MEN1
SCHEMBL2314109 0.78 HSP90AB1 (0.43) KDM4EALDH1A1HPGDHSP90AB1MEN1

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