SCHEMBL2484720

SCHEMBL2484720

O=C(O)Oc1cc(-c2cc(F)cc(Cl)c2)c(Br)o1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
APP P05067 1/20 0.32
AKR1C1 Q04828 1/20 0.31
CHRM3 P20309 6/20 0.30
CTSA P10619 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
MME P08473 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
SCHEMBL2482216 0.83 XPO1 (0.39) CHRM3CTSA
SCHEMBL2483630 0.80 KMO (0.39)
SCHEMBL418255 0.79 MCL1 (0.43) EGLN1AKR1C3AKR1C2APPAKR1C1
SCHEMBL2486902 0.78 RPA1 (0.41) AKR1C3AKR1C2APPAKR1C1CHRM3
SCHEMBL419322 0.72 XPO1 (0.43) CHRM3
SCHEMBL2486195 0.67 CHRNA4 (0.32)
SCHEMBL2485562 0.67 MAPK14 (0.38) CHRM3
SCHEMBL5230844 0.65 GPR35 (0.39)
SCHEMBL420353 0.65 CHRNA4 (0.33)
SCHEMBL2486656 0.65 PGR (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376479-B1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO KG (DE) 2016-03-02 EP disclosed
EP-2376479-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AiCuris GmbH & Co. KG (DE) 2011-10-19 EP disclosed
WO-2010075957-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2010-07-08 WO disclosed