SCHEMBL14312951

SCHEMBL14312951

Cc1nc(-c2nccs2)ncc1OC(=O)Nn1cc(C(F)(F)F)c2cnccc21

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.38
▸ S1PR1 P21453 5/20 0.32
▸ ELANE P08246 2/20 0.32
▸ S1PR3 Q99500 4/20 0.31

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
SCHEMBL14313250 0.89 HPGDS (0.37) HPGDSS1PR1ELANES1PR3
SCHEMBL14313174 0.89 HPGDS (0.36) HPGDS
SCHEMBL14313349 0.89 HPGDS (0.32) HPGDS
SCHEMBL14313182 0.87 HPGDS (0.50) HPGDSS1PR1ELANES1PR3
SCHEMBL14313327 0.87 HPGDS (0.31) HPGDS
SCHEMBL14312961 0.86 AGTR2 (0.30) —
SCHEMBL14312864 0.85 HPGDS (0.39) HPGDSS1PR1
SCHEMBL14313264 0.85 HPGDS (0.38) HPGDSS1PR1ELANES1PR3
SCHEMBL14312819 0.85 AGTR2 (0.31) HPGDS
SCHEMBL14313030 0.84 MAPK8 (0.33) HPGDS

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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