SCHEMBL9548013

SCHEMBL9548013

CCOC(=O)c1nc(-c2ccc(F)cc2)c(-c2ccc(SC)cc2)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.71
TRPM8 Q7Z2W7 1/20 0.50
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GRM6 O15303 1/20 0.47
MAPK14 Q16539 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.43
PTGS1 P23219 2/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL7843171 0.83 PTGS2 (0.48) PTGS2MAPK14PTGS1ALOX5
SCHEMBL14380747 0.80 PTGS2 (0.65) PTGS2TRPM8KDM4EALDH1A1NPC1
SCHEMBL5519672 0.79 PTGS2 (0.64) PTGS2KDM4EALDH1A1NPC1RAB9A
SCHEMBL5909547 0.79 PTGS2 (0.64) PTGS2TRPM8KDM4EALDH1A1NPC1
SCHEMBL9548016 0.78 PTGS2 (0.62) PTGS2TRPM8KDM4EALDH1A1NPC1
SCHEMBL7833390 0.76 PTGS2 (0.62) PTGS2KDM4EMAPTMAPK1NPSR1
SCHEMBL7844983 0.76 PTGS2 (0.62) PTGS2KDM4EMAPTMAPK1NPSR1
SCHEMBL7841792 0.75 PTGS2 (0.64) PTGS2MAPK14PTGS1ALOX5
SCHEMBL5909558 0.75 PTGS2 (0.59) PTGS2TRPM8KDM4EALDH1A1NPC1
SCHEMBL5909592 0.75 PTGS2 (0.59) PTGS2TRPM8KDM4EALDH1A1NPC1

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