SCHEMBL14312950

SCHEMBL14312950

Cc1nc(-c2ccccn2)ncc1OC(=O)Nn1cc(C2CCOCC2)c2cc(F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.55
▸ PDE10A Q9Y233 3/20 0.41
▸ TRPM8 Q7Z2W7 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ F12 P00748 1/20 0.36
▸ RAF1 P04049 3/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PPP1CA P62136 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HRH2 P25021 1/20 0.33

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
SCHEMBL14313013 0.88 HPGDS (0.40) HPGDSPDE10ARAF1NTRK1
SCHEMBL14312953 0.86 HPGDS (0.73) HPGDSTRPM8L3MBTL1MEN1ALDH1A1
SCHEMBL14313196 0.83 HPGDS (0.60) HPGDSTRPM8L3MBTL1MEN1ALDH1A1
SCHEMBL14313181 0.83 HPGDS (0.60) HPGDSTRPM8L3MBTL1MEN1ALDH1A1
SCHEMBL14313050 0.80 HPGDS (0.57) HPGDSL3MBTL1MEN1ALDH1A1HTT
SCHEMBL14312957 0.79 HPGDS (0.55) HPGDSL3MBTL1MEN1ALDH1A1HTT
SCHEMBL14313445 0.79 HPGDS (0.54) HPGDSTRPM8L3MBTL1MEN1ALDH1A1
SCHEMBL14313242 0.77 HPGDS (0.60) HPGDSKCNH2
SCHEMBL14313042 0.77 HPGDS (0.49) HPGDSTRPM8L3MBTL1MEN1ALDH1A1
SCHEMBL14313156 0.77 HPGDS (0.64) HPGDSL3MBTL1MEN1ALDH1A1HTT

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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