SCHEMBL4737025

SCHEMBL4737025

CCOCCNC(=O)c1cc2c(nc(C)n2C)c2c1CCC1(Cc3ccccc3C1)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
NAMPT P43490 2/20 0.36
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ASAH1 Q13510 2/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 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
SCHEMBL4734073 0.89 CHIA (0.33) HPGDKDM4ETP53LMNAHSD17B10
SCHEMBL4739290 0.87 PDE10A (0.33) NAMPTHCN1HCN4
SCHEMBL4739132 0.85 KDM4E (0.40) KDM4ERXFP1MAPT
SCHEMBL4737070 0.84 ALDH1A1 (0.36) HPGDALDH1A1KDM4EKMT2AMAPT
SCHEMBL4739802 0.84 NPC1 (0.32) TP53
SCHEMBL4737853 0.84 PTGES (0.38) PPARGNR2E3NCOR2CACNA1GCACNA1H
SCHEMBL4244256 0.84 ALDH1A1 (0.39) HPGDALDH1A1KDM4ENAMPTTP53
SCHEMBL4738609 0.81 DHODH (0.36) HPGDALDH1A1KDM4ETP53KMT2A
SCHEMBL4738895 0.81 KMT2A (0.36) HPGDALDH1A1KDM4EHTTKMT2A
SCHEMBL4782354 0.79 KDM4E (0.32) ALDH1A1KDM4EKMT2A

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-2008071765-A1 PHARMACEUTICALLY ACTIVE SPIRO-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2008-06-19 WO claimed