SCHEMBL14313361

SCHEMBL14313361

Cc1nc(-c2ccccn2)ncc1OC(=O)Nn1cc(C)c2ncccc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.60
▸ L3MBTL1 Q9Y468 9/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TRPM8 Q7Z2W7 8/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 6/20 0.37
▸ MAPT P10636 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MITF O75030 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ PPP1CA P62136 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL14312780 0.89 HPGDS (0.76) HPGDSL3MBTL1ALDH1A1KDM4ETRPM8
SCHEMBL14313066 0.89 HPGDS (0.73) HPGDSL3MBTL1ALDH1A1KDM4ETRPM8
SCHEMBL14313256 0.85 HPGDS (0.52) HPGDSL3MBTL1ALDH1A1KDM4ETRPM8
SCHEMBL14313251 0.85 HPGDS (0.54) HPGDSL3MBTL1ALDH1A1KDM4ETRPM8
SCHEMBL14313203 0.85 HPGDS (0.52) HPGDSL3MBTL1ALDH1A1KDM4ETRPM8
SCHEMBL14312911 0.83 HPGDS (0.50) HPGDSL3MBTL1ALDH1A1KDM4ETRPM8
SCHEMBL12083977 0.83 HPGDS (0.79) HPGDSKDM4ETRPM8MEN1KMT2A
SCHEMBL14312953 0.83 HPGDS (0.73) HPGDSL3MBTL1ALDH1A1KDM4ETRPM8
SCHEMBL14313148 0.83 HPGDS (0.43) HPGDS
SCHEMBL14312671 0.82 HPGDS (0.46) HPGDSL3MBTL1ALDH1A1KDM4ETRPM8

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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