SCHEMBL2313612

SCHEMBL2313612

NC(=O)[C@@H]1c2ccccc2-c2c(-c3nc4cncnc4[nH]3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.46
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
PKN1 Q16512 1/20 0.33
PKN2 Q16513 1/20 0.33
ATM Q13315 1/20 0.33
PARP1 P09874 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIRT1 Q96EB6 1/20 0.32
F2 P00734 1/20 0.32
F9 P00740 1/20 0.32
F10 P00742 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
PRSS1 P07477 1/20 0.32
PIK3CD O00329 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HDAC3 O15379 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
SCHEMBL2309814 0.83 HSP90AB1 (0.41) HSP90AB1KDM4ERAB9ASMN1; SMN2PIK3CD
SCHEMBL2309822 0.83 HSP90AB1 (0.41) HSP90AB1KDM4ERAB9ASMN1; SMN2PIK3CD
SCHEMBL27716043 0.82 HSP90AB1 (0.40) HSP90AB1
SCHEMBL2311956 0.81 RAB9A (0.54) HSP90AB1KDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL2311645 0.81 HSP90AB1 (0.65) HSP90AB1KDM4ERAB9ASMN1; SMN2F2
SCHEMBL2312611 0.81 HSP90AB1 (0.65) HSP90AB1KDM4ERAB9ASMN1; SMN2F2
SCHEMBL27715987 0.79 HSP90AB1 (0.41) HSP90AB1KDM4ERAB9A
SCHEMBL3798573 0.76 PDK2 (0.41) HSP90AB1PKN1PKN2ATMALDH1A1
SCHEMBL2314500 0.76 HSP90AB1 (0.43) HSP90AB1KDM4ERAB9APARP1SMN1; SMN2
SCHEMBL2313039 0.76 MAPT (0.56) HSP90AB1KDM4ERAB9ASMN1; SMN2F2

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