SCHEMBL3413748

SCHEMBL3413748

C#C[C@H](NC(=O)[C@@H]1SCCN1S(=O)(=O)c1ccc(-c2ccccc2F)cc1)c1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 1/20 0.44
HSD11B1 P28845 10/20 0.42
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
LGMN Q99538 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
ATM Q13315 1/20 0.34
CHRNB2 P17787 1/20 0.34

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
SCHEMBL3419080 0.91 PTGFR (0.48) PTGFRHSD11B1ALDH1A1HPGDMEN1
SCHEMBL3385965 0.84 PTGFR (0.49) PTGFRHSD11B1ALDH1A1HPGDPOLB
SCHEMBL3384707 0.84 PTGFR (0.51) PTGFRHSD11B1ALDH1A1POLBATM
SCHEMBL3386001 0.79 PTGFR (0.55) PTGFRHSD11B1ALDH1A1POLBTSHR
SCHEMBL3384874 0.79 PTGFR (0.59) PTGFRHSD11B1ALDH1A1MMP2MMP9
SCHEMBL3381698 0.78 PTGFR (0.47) PTGFRHSD11B1ALDH1A1HPGDMMP2
SCHEMBL3381702 0.78 PTGFR (0.47) PTGFRHSD11B1ALDH1A1HPGDMMP2
SCHEMBL6885482 0.78 PTGFR (0.51) PTGFRHSD11B1ALDH1A1LGMNMMP2
SCHEMBL3383792 0.78 PTGFR (0.58) PTGFRHSD11B1ALDH1A1MMP2MMP9
SCHEMBL13005135 0.78 PTGFR (0.58) PTGFRHSD11B1ALDH1A1MMP2MMP9

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-1487442-B1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR MERCK SERONO SA (CH) 2010-12-01 EP claimed