SCHEMBL12430611

SCHEMBL12430611

O=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)C1CC=Nc2[nH]ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.61
PDE5A O76074 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HPSE Q9Y251 1/20 0.34
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
KDM4E B2RXH2 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
DYRK1A Q13627 1/20 0.31
RAB9A P51151 1/20 0.31
FASN P49327 1/20 0.30
FGFR1 P11362 1/20 0.30
FLT1 P17948 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
SCHEMBL12430606 0.79 HSP90AB1 (0.80) HSP90AB1PDE5ASMN1; SMN2HPSEMETAP2
SCHEMBL12430893 0.77 HSP90AB1 (0.68) HSP90AB1PDE5ASMN1; SMN2HPSEMETAP2
SCHEMBL13437165 0.77 HSP90AB1 (0.76) HSP90AB1PDE5ASMN1; SMN2APLNR
SCHEMBL13437166 0.77 HSP90AB1 (1.00) HSP90AB1PDE5ASMN1; SMN2HPSEMETAP2
SCHEMBL13437212 0.76 HSP90AB1 (0.78) HSP90AB1PDE5ASMN1; SMN2HPSEMETAP2
SCHEMBL2314870 0.76 HSP90AB1 (0.75) HSP90AB1PDE5ASMN1; SMN2HPSEMETAP2
SCHEMBL13437202 0.76 HSP90AB1 (1.00) HSP90AB1PDE5ASMN1; SMN2HPSEMETAP2
SCHEMBL13437167 0.75 HSP90AB1 (0.85) HSP90AB1PDE5ASMN1; SMN2HPSEMETAP2
SCHEMBL12431194 0.75 HSP90AB1 (0.79) HSP90AB1PDE5ASMN1; SMN2HPSEMETAP2
SCHEMBL13437158 0.75 HSP90AB1 (0.75) HSP90AB1PDE5ASMN1; SMN2HPSEMETAP2

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 1 patent. 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 disclosed