SCHEMBL27487569

SCHEMBL27487569

O=C([C]1CCCCC1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 4/20 0.48
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 1/20 0.47
PHGDH O43175 1/20 0.46
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL6881685 0.96 HTT (0.47) HTTLMNAHPGDMEN1TP53
SCHEMBL6870646 0.96 HTT (0.47) HTTLMNAHPGDMEN1TP53
SCHEMBL28693899 0.89 HPGD (0.53) HTTLMNAHPGDMEN1TP53
SCHEMBL1826062 0.82 HPGD (0.54) LMNAHPGDMEN1TP53KMT2A
SCHEMBL28306573 0.82 HPGD (0.54) LMNAHPGDMEN1TP53KMT2A
SCHEMBL2924871 0.75 CA2 (0.52) HPGDALDH1A1CA12CA1CA9
SCHEMBL16086852 0.75 HPGD (0.44) HTTLMNAHPGDMEN1TP53
SCHEMBL28306598 0.75 HPGD (0.50) LMNAHPGDMEN1TP53KMT2A
SCHEMBL28684147 0.72 HPGD (0.52) LMNAHPGDMEN1TP53KMT2A
SCHEMBL27774938 0.71 HRH3 (0.52)

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
CN-1212695-A 4-amino pyrimidine derivates, medicament containing these compounds, their use THOMAE GMBH DR K (DE) 1999-03-31 CN disclosed