SCHEMBL1870702

SCHEMBL1870702

O=c1c(O)c(CN2CCNCC2)ccn1Cc1cccc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 8/20 0.63
VEGFA P15692 7/20 0.63
HTR6 P50406 3/20 0.50
MAOB P27338 2/20 0.50
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 3/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CHRM3 P20309 1/20 0.46
KMT2A Q03164 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.44

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
Formic Acid Methyl Ester SCHEMBL27951076 0.92 EGLN1 (0.54) EGLN1VEGFAHTR6MAOBLMNA
Tert-Butyl Formate SCHEMBL27937874 0.90 EGLN1 (0.52) EGLN1VEGFAHTR6MAOBLMNA
Ethoxycarbonyl Group SCHEMBL27951052 0.90 EGLN1 (0.52) EGLN1VEGFAHTR6MAOBLMNA
SCHEMBL24254260 0.87 VEGFA (0.63) EGLN1VEGFALMNAPOLBMAPT
SCHEMBL271286 0.87 EGLN1 (0.67) EGLN1VEGFAHTR6LMNAPOLB
SCHEMBL1868684 0.87 EGLN1 (0.67) EGLN1VEGFALMNAPOLBSMN1; SMN2
SCHEMBL17028831 0.87 VEGFA (0.60) EGLN1VEGFALMNASMN1; SMN2KMT2A
SCHEMBL1870466 0.87 VEGFA (0.60) EGLN1VEGFAPOLBSMN1; SMN2CHRM3
SCHEMBL1770292 0.85 EGLN1 (0.67) EGLN1VEGFALMNAPOLBSMN1; SMN2
SCHEMBL27951075 0.83 HTR6 (0.46) EGLN1VEGFAHTR6MAOBLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496236-A1 PROLYL HYDROXYLASE INHIBITORS Aerpio Therapeutics Inc. (US) 2012-09-12 EP claimed
WO-2011057115-A1 PROLYL HYDROXYLASE INHIBITORS AKEBIA THERAPEUTICS INC. (US) 2011-05-12 WO claimed