SCHEMBL11037153

SCHEMBL11037153

NC1CSc2ccc(C(F)(F)F)cc2N(CC(=O)O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.45
F2 P00734 3/20 0.45
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
AADAT Q8N5Z0 1/20 0.44
ALDH1A1 P00352 4/20 0.41
PKM P14618 1/20 0.41
HSD17B3 P37058 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HPGD P15428 2/20 0.39
RAD52 P43351 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACE P12821 2/20 0.38
MME P08473 1/20 0.38
XBP1 P17861 1/20 0.38
AR P10275 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL11037157 1.00 FPR2 (0.45) FPR2F2F7F3AADAT
Bromide SCHEMBL10668746 0.99 FPR2 (0.45) FPR2F2F7F3AADAT
Bromide SCHEMBL10668756 0.99 FPR2 (0.45) FPR2F2F7F3AADAT
SCHEMBL10511510 0.80 ALDH1A1 (0.56) FPR2ALDH1A1PKMHSD17B3NPSR1
SCHEMBL197585 0.79 ACE (0.55) F2F7F3NPSR1MEN1
SCHEMBL197912 0.79 ACE (0.55) F2F7F3NPSR1MEN1
SCHEMBL197586 0.79 ACE (0.55) F2F7F3NPSR1MEN1
Bromide SCHEMBL7442458 0.78 ACE (0.54) F2F7F3NPSR1KMT2A
Bromide SCHEMBL7442462 0.78 ACE (0.54) F2F7F3NPSR1KMT2A
SCHEMBL10511211 0.78 FPR2 (0.45) FPR2ALDH1A1PKMNPSR1HPGD

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-0156455-A2 Condensed seven-membered ring compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-02 EP disclosed