SCHEMBL14313181

SCHEMBL14313181

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.60
▸ L3MBTL1 Q9Y468 5/20 0.39
▸ GLA P06280 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ PPP1CA P62136 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ KLKB1 P03952 3/20 0.34
▸ F2 P00734 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 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
SCHEMBL14313050 0.91 HPGDS (0.57) HPGDSL3MBTL1GLAKMT2AALDH1A1
SCHEMBL14312953 0.90 HPGDS (0.73) HPGDSL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL14312957 0.89 HPGDS (0.55) HPGDSL3MBTL1GLAKMT2AALDH1A1
SCHEMBL14313196 0.87 HPGDS (0.60) HPGDSL3MBTL1GLAKMT2AALDH1A1
SCHEMBL12084139 0.86 HPGDS (0.81) HPGDSL3MBTL1GLAKMT2AMEN1
SCHEMBL14313161 0.84 HPGDS (0.48) HPGDSL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL14312950 0.83 HPGDS (0.55) HPGDSL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL14313445 0.83 HPGDS (0.54) HPGDSL3MBTL1GLAKMT2AALDH1A1
SCHEMBL14313123 0.83 HPGDS (0.48) HPGDSL3MBTL1GLAKMT2AALDH1A1
SCHEMBL14313242 0.81 HPGDS (0.60) HPGDSMAPT

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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