SCHEMBL4755212

SCHEMBL4755212

Cc1nc2c3c(c(N)cc2n1C)CCC1(Cc2ccccc2C1)O3

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BACE1 P56817 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL13983113 0.82 ALOX15 (0.32) LMNAHPGD
SCHEMBL13983132 0.80 BRD9 (0.33) LMNAHPGD
SCHEMBL4739107 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4737070 0.79 ALDH1A1 (0.36) LMNAKDM4EALDH1A1HPGD
SCHEMBL4734073 0.78 CHIA (0.33) LMNAKDM4EHPGD
SCHEMBL4737882 0.77 RAB9A (0.35) LMNAKDM4EALDH1A1HPGD
SCHEMBL4739132 0.76 KDM4E (0.40) KDM4E
SCHEMBL4737853 0.75 PTGES (0.38)
SCHEMBL4739255 0.75 CHRM2 (0.35)
SCHEMBL4739290 0.75 PDE10A (0.33)

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
WO-2008151927-A2 6-N-SUBSTITUTED BENZ IMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS NYCOMED GMBH (DE) 2008-12-18 WO disclosed