SCHEMBL2486902

SCHEMBL2486902

O=C(O)Oc1cc(-c2cc(F)cc(Cl)c2)c(-c2ccc(F)c(Cl)c2)o1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.41
KMO O15229 2/20 0.38
APP P05067 3/20 0.35
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PGR P06401 1/20 0.32
CASP1 P29466 1/20 0.32
AKR1C1 Q04828 1/20 0.32
PTGS2 P35354 4/20 0.32
PTGS1 P23219 2/20 0.32
PIK3CA P42336 1/20 0.32
ERCC1 P07992 1/20 0.32
ERCC4 Q92889 1/20 0.32
TSPO P30536 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
SCHEMBL2484122 0.85 XPO1 (0.36) RPA1APPCHRM3PGRTSPO
SCHEMBL417818 0.82 RPA1 (0.53) RPA1KMOAPPAKR1C3AKR1C2
SCHEMBL2484720 0.78 EGLN1 (0.32) APPAKR1C3AKR1C2CHRM3AKR1C1
SCHEMBL2485562 0.76 MAPK14 (0.38) KMOCHRM2CHRM1CHRM3
SCHEMBL2480833 0.75 RXRA (0.41) KMOPTGS2
SCHEMBL2509896 0.75 PGR (0.42) RPA1CHRM2CHRM1CHRM3PGR
SCHEMBL2481398 0.74 PTGS2 (0.36) RPA1KMOAPPCHRM2CHRM1
SCHEMBL415891 0.72 RAB9A (0.44)
SCHEMBL416571 0.70 DPP4 (0.38) RPA1
SCHEMBL416781 0.69 RPA1 (0.34) RPA1CHRM2CHRM1CHRM3

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