SCHEMBL16974005

SCHEMBL16974005

Cc1ccc(-c2nn(-c3cccc(C(F)(F)F)c3)cc2C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
PTGS2 P35354 3/20 0.53
KMT2A Q03164 8/20 0.51
MEN1 O00255 6/20 0.51
NLRP3 Q96P20 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
DUSP3 P51452 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL14893183 0.89 POLB (0.69) POLBPTGS2KMT2AMEN1NLRP3
SCHEMBL1780002 0.89 PTGS2 (0.68) POLBPTGS2KMT2AMEN1NLRP3
SCHEMBL7254761 0.88 POLB (0.54) POLBPTGS2KMT2AMEN1NLRP3
SCHEMBL23928572 0.87 PTGS2 (0.61) POLBPTGS2KMT2AMEN1NLRP3
SCHEMBL16973982 0.83 PTGS2 (0.58) POLBPTGS2KMT2AMEN1NLRP3
SCHEMBL11539970 0.82 PTGS2 (0.68) POLBPTGS2KMT2AMEN1NLRP3
SCHEMBL11254624 0.81 PTGS2 (0.80) POLBPTGS2KMT2AMEN1NLRP3
SCHEMBL16973964 0.81 NR1H4 (0.55) POLBKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL23928639 0.80 PTGS2 (0.74) POLBPTGS2KMT2AMEN1NLRP3
SCHEMBL16973972 0.76 POLB (0.75) POLBPTGS2KMT2AMEN1NLRP3

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
WO-2015116856-A2 FARNESOID X RECEPTOR ANTAGONISTS CITY OF HOPE (US) 2015-08-06 WO disclosed