SCHEMBL1741909

SCHEMBL1741909

CC(Cc1ccc(C(F)(F)F)cc1)OS(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
KIF11 P52732 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
IDO1 P14902 2/20 0.40
EPHX2 P34913 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL28572268 0.81 TRPA1 (0.44) KMT2APPARGPPARACA1CA2
SCHEMBL11039747 0.80 CA2 (0.42) KMT2APPARGPPARACA1CA2
SCHEMBL22441312 0.79 TAAR1 (0.47) KMT2ANPC1RAB9A
SCHEMBL21378558 0.79 TAAR1 (0.47) KMT2ANPC1RAB9A
SCHEMBL3589541 0.79 TAAR1 (0.47) KMT2ANPC1RAB9A
SCHEMBL11848566 0.78 SLC6A2 (0.48) KMT2APPARGPPARA
SCHEMBL6141386 0.75 PPARA (0.43) KMT2APPARGPPARAALDH1A1NPC1
SCHEMBL13169222 0.75 KIF11 (0.41) KMT2AKIF11CA1CA2
SCHEMBL18740032 0.75 KIF11 (0.41) KMT2AKIF11CA1CA2
SCHEMBL3058615 0.75 KIF11 (0.41) KMT2AKIF11CA1CA2

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-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed