SCHEMBL14312699

SCHEMBL14312699

Cc1nc(-c2nccs2)ncc1OC(=O)Nn1ccc2nc(C(F)(F)F)ccc21

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.37
▸ DHFR P00374 1/20 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
SCHEMBL14313220 0.88 HPGDS (0.35) HPGDS
SCHEMBL14312793 0.87 HPGDS (0.33) HPGDSDHFR
SCHEMBL14312817 0.87 HPGDS (0.35) HPGDS
SCHEMBL14313333 0.87 HPGDS (0.49) HPGDS
SCHEMBL14312960 0.84 HPGDS (0.36) HPGDS
SCHEMBL14313274 0.83 HPGDS (0.33) HPGDS
SCHEMBL14313271 0.81 MAPT (0.33) HPGDS
SCHEMBL14313270 0.81 HPGDS (0.32) HPGDS
SCHEMBL14313159 0.80 HPGDS (0.39) HPGDS
SCHEMBL14312864 0.78 HPGDS (0.39) 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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