SCHEMBL14949653

SCHEMBL14949653

Cc1ccc(S(=O)(=O)/N=c2/ccc(Oc3ccc(NC(=O)O)cc3F)cn2CC(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
FFAR1 O14842 1/20 0.40
MET P08581 5/20 0.39
PLA2G7 Q13093 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TP53 P04637 3/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD4 O60885 2/20 0.35
MAPT P10636 2/20 0.35
RAF1 P04049 1/20 0.35
GFER P55789 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDR P35968 1/20 0.33

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
SCHEMBL14949654 1.00 POLB (0.42) POLBFFAR1METPLA2G7ALDH1A1
SCHEMBL4312914 0.88 POLB (0.49) POLBFFAR1ALDH1A1GAAMEN1
SCHEMBL14949662 0.88 POLB (0.49) POLBFFAR1ALDH1A1GAAMEN1
SCHEMBL14949660 0.84 POLB (0.39) POLBMEN1KMT2AMAPTKDR
SCHEMBL14949661 0.84 POLB (0.39) POLBMEN1KMT2AMAPTKDR
SCHEMBL1258045 0.82 NR3C1 (0.37) ALDH1A1TP53KMT2A
SCHEMBL12892585 0.77 MAPT (0.46) POLBFFAR1ALDH1A1TP53TSHR
SCHEMBL13623158 0.76 MGAT2 (0.38) POLBTP53KMT2AMAPT
SCHEMBL1321460 0.75 POLB (0.45) POLBALDH1A1MEN1KMT2ARXFP1
SCHEMBL12119821 0.75 POLB (0.45) POLBALDH1A1MEN1KMT2ARXFP1

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
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed