SCHEMBL14312693

SCHEMBL14312693

CCc1cn(NC(=O)Oc2cnc(-c3ccccn3)nc2C)c2cnccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.46
▸ L3MBTL1 Q9Y468 7/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TRPM8 Q7Z2W7 9/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PPP1CA P62136 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL14313203 0.90 HPGDS (0.52) HPGDSL3MBTL1KDM4EALDH1A1TRPM8
SCHEMBL14312796 0.86 HPGDS (0.43) HPGDSL3MBTL1KDM4EALDH1A1TRPM8
SCHEMBL14313251 0.85 HPGDS (0.54) HPGDSL3MBTL1KDM4EALDH1A1TRPM8
SCHEMBL12084130 0.85 HPGDS (0.61) HPGDSL3MBTL1KDM4EALDH1A1TRPM8
SCHEMBL14313161 0.83 HPGDS (0.48) HPGDSL3MBTL1KDM4EALDH1A1TRPM8
SCHEMBL14313359 0.83 HPGDS (0.40) HPGDSMAPTLMNA
SCHEMBL14313311 0.83 HPGDS (0.47) HPGDSL3MBTL1KDM4EALDH1A1TRPM8
SCHEMBL14312963 0.82 HPGDS (0.41) HPGDS
SCHEMBL14313123 0.82 HPGDS (0.48) HPGDSL3MBTL1KDM4EALDH1A1TRPM8
SCHEMBL14313348 0.82 HPGDS (0.37) 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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