SCHEMBL257852

SCHEMBL257852

Cc1ccc(Oc2ccc(F)c(F)c2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 2/20 0.50
▸ HTR2A P28223 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ MAP4K4 O95819 1/20 0.40
▸ FFAR4 Q5NUL3 2/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ RAPGEF4 Q8WZA2 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ACHE P22303 1/20 0.36

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
SCHEMBL257839 0.86 HTR2A (0.44) SOS1HTR2ASLC6A4PTGS2KCNH2
SCHEMBL257919 0.85 TEAD4 (0.48) SOS1MRGPRX4KMT2ALMNAGFER
SCHEMBL28061160 0.83 LTA4H (0.48) SOS1SLC6A4FFAR4KMT2ALMNA
SCHEMBL15075246 0.83 LTA4H (0.48) MRGPRX4L3MBTL1ACHESMN1; SMN2MAOB
SCHEMBL257856 0.83 SOS1 (0.55) SOS1HTR2ASLC6A4SLC1A3SLC1A2
SCHEMBL12260917 0.82 SOS1 (0.39) SOS1HTR2ASLC6A4FFAR4MRGPRX4
SCHEMBL9900485 0.80 SOS1 (0.38) SOS1HTR2ASLC6A4FFAR4MRGPRX4
SCHEMBL27301155 0.80 ALDH1A1 (0.58) MRGPRX4KMT2ALMNAGFERL3MBTL1
SCHEMBL257824 0.80 KDM4E (0.46) SOS1HTR2ASLC6A4KCNH2KMT2A
SCHEMBL8234333 0.80 KDM4C (0.39) SOS1MRGPRX4KMT2ALMNAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404607-A1 Boronic acids and esters as inhibitors of fatty acid amide hydrolase Infinity Pharmaceuticals, Inc. (US) 2012-01-11 — — EP disclosed
EP-2399585-A1 Boronic acids and esters as inhibitors of fatty acid amide hydrolase Infinity Pharmaceuticals, Inc. (US) 2011-12-28 — — EP disclosed
Send feedback