SCHEMBL9548016

SCHEMBL9548016

CCOC(=O)c1nc(-c2ccc(F)cc2)c(-c2cc(C)cs2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.62
MAPK14 Q16539 1/20 0.47
KDM4E B2RXH2 8/20 0.46
MAPT P10636 5/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
ALDH1A1 P00352 6/20 0.45
HPGD P15428 5/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 2/20 0.45
PKM P14618 1/20 0.45
GRM6 O15303 1/20 0.43
PRKCZ Q05513 1/20 0.43
ALOX5 P09917 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
MMP1 P03956 1/20 0.40

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
SCHEMBL7843176 0.85 PTGS2 (0.43) PTGS2MAPK14ALDH1A1PKM
SCHEMBL7841796 0.78 PTGS2 (0.54) PTGS2MAPK14
SCHEMBL9548013 0.78 PTGS2 (0.71) PTGS2MAPK14KDM4EMAPTNPC1
SCHEMBL7847056 0.78 PTGDR2 (0.48) PTGS2MAPK14LMNA
SCHEMBL7844988 0.77 PTGS2 (0.52) PTGS2MAPK14KDM4EMAPTRAB9A
SCHEMBL9547980 0.77 PTGS2 (0.57) PTGS2MAPK14KDM4EMAPTALDH1A1
SCHEMBL14380747 0.76 PTGS2 (0.65) PTGS2MAPK14KDM4EMAPTNPC1
SCHEMBL9617496 0.75 PTGS2 (0.41) PTGS2MAPK14ALDH1A1
SCHEMBL10430827 0.74 PTGS2 (0.42) PTGS2MAPK14KDM4EMAPTNPC1
SCHEMBL7844733 0.73 PTGS2 (0.54) PTGS2MAPK14KDM4EMAPTSMN1; SMN2

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