SCHEMBL6856055

SCHEMBL6856055

CCCCc1nc(C=O)cn1P

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
AGTR1 P30556 2/20 0.31
AGTR2 P50052 2/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL30720856 0.73 HPGD (0.32) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL9164742 0.71 ALDH1A1 (0.38) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL7270139 0.69 KDM4E (0.46) ALDH1A1LMNASMN1; SMN2
SCHEMBL7450713 0.69 NPC1 (0.33)
SCHEMBL30720877 0.69 AGER (0.36)
SCHEMBL725696 0.66 SMN1; SMN2 (0.39) AGTR1AGTR2LMNAATMSMN1; SMN2
SCHEMBL27341246 0.63 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL633213 0.62 HRH3 (0.38) ALDH1A1MAPK1
SCHEMBL7092724 0.62 KCNH2 (0.56)
SCHEMBL20113653 0.61 CCR1 (0.38) ALDH1A1

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-2011004384-A2 PROCESS FOR THE PREPARATION OF EPROSARTAN GLOCHEM INDUSTRIES LIMITED (IN) 2011-01-13 WO disclosed