SCHEMBL14312803

SCHEMBL14312803

CS(=O)(=O)c1ccc2ccn(NC(=O)Oc3cnc(-c4cccc(F)c4)nc3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 5/20 0.39
▸ PTGS2 P35354 6/20 0.39
▸ HPGDS O60760 2/20 0.38
▸ SCD O00767 1/20 0.37
▸ PLK4 O00444 4/20 0.36
▸ PTGS1 P23219 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ PAK4 O96013 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ TBK1 Q9UHD2 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
SCHEMBL14312907 0.93 PTGS2 (0.39) METPTGS2HPGDSSCDPLK4
SCHEMBL12083682 0.87 HPGDS (0.43) METPTGS2HPGDSSCDPLK4
SCHEMBL14313417 0.86 MET (0.39) METHPGDS
SCHEMBL14312729 0.84 MET (0.39) METHPGDS
SCHEMBL14312743 0.81 HPGDS (0.42) PTGS2HPGDSSCDPLK4PTGS1
SCHEMBL12083762 0.79 HPGDS (0.43) PTGS2HPGDSSCDPLK4PTGS1
SCHEMBL14312791 0.79 NR3C2 (0.36) METHPGDS
SCHEMBL14313316 0.79 CYP11B1 (0.40) PTGS2PTGS1
SCHEMBL14312890 0.78 SLC22A12 (0.37) METHPGDS
SCHEMBL14312771 0.78 GRIN2B (0.38) METHPGDS

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-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 — — EP claimed
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