SCHEMBL23955981

SCHEMBL23955981

CCNc1nc(C)nc(C)c1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CRHR1 P34998 2/20 0.48
▸ S1PR4 O95977 3/20 0.43
▸ PGK1 P00558 5/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ MAP4K2 Q12851 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL20356648 0.85 GAA (0.46) HPGDHTTGAAATML3MBTL1
Hydrochloric Acid SCHEMBL23927528 0.84 GAA (0.45) HPGDHTTGAAATML3MBTL1
SCHEMBL23955980 0.84 HPGD (0.45) HPGDHTTGAAATML3MBTL1
SCHEMBL21526004 0.70 TTR (0.43) HPGDGAAL3MBTL1S1PR4LMNA
SCHEMBL21526122 0.69 S1PR4 (0.46) HPGDHTTGAAATML3MBTL1
SCHEMBL21526018 0.68 S1PR4 (0.49) HPGDHTTGAAATML3MBTL1
SCHEMBL10642289 0.67 LMNA (0.45) HPGDGAAS1PR4LMNASLC6A4
SCHEMBL20356573 0.66 GAA (0.45) HPGDGAAL3MBTL1S1PR4SMN1; SMN2
SCHEMBL20356753 0.66 TTR (0.42) HPGDHTTGAAL3MBTL1S1PR4
SCHEMBL21526046 0.66 TTR (0.47) HPGDHTTGAAL3MBTL1S1PR4

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-3564216-B1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 — — EP disclosed
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