SCHEMBL9548068

SCHEMBL9548068

CSc1ccc(-c2sc(C(=O)N3CC[N+](C)([O-])CC3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.48
PTGS1 P23219 4/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK13 O15264 4/20 0.36
MAPK12 P53778 4/20 0.36
MAPK11 Q15759 4/20 0.36
MAPK14 Q16539 4/20 0.36
GCGR P47871 3/20 0.36
PRKD3 O94806 1/20 0.35

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
SCHEMBL9547975 0.86 PTGS2 (0.66) PTGS2PTGS1KDM4EMEN1ALDH1A1
SCHEMBL10430643 0.85 PTGS2 (0.48) PTGS2PTGS1KDM4EMEN1ALDH1A1
SCHEMBL9548044 0.81 PTGS2 (0.72) PTGS2PTGS1KDM4EMEN1ALDH1A1
SCHEMBL10430827 0.80 PTGS2 (0.42) PTGS2PTGS1KDM4EMEN1ALDH1A1
SCHEMBL7843171 0.77 PTGS2 (0.48) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL9548013 0.72 PTGS2 (0.71) PTGS2PTGS1KDM4EMEN1ALDH1A1
SCHEMBL7847052 0.70 PTGDR2 (0.51) PTGS2PTGS1MAPK14
SCHEMBL7833390 0.68 PTGS2 (0.62) PTGS2PTGS1KDM4EMAPK13MAPK12
SCHEMBL7844983 0.68 PTGS2 (0.62) PTGS2PTGS1KDM4EMAPK13MAPK12
SCHEMBL9617494 0.67 PTGS2 (0.47) PTGS2PTGS1MAPK13MAPK12MAPK11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5217971-A Anticoagulants, hypotensive agents, antiallergens and antiinflammatory agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-08 US disclosed
EP-0377457-A1 Thiazole compounds, processes for the preparation thereof, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-07-11 EP disclosed