SCHEMBL1866444

SCHEMBL1866444

O=c1c(O)c(CN2CCNCC2)ccn1Cc1ccccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 7/20 0.60
EGLN1 Q9GZT9 7/20 0.60
SIGMAR1 Q99720 1/20 0.45
CYP2A13 Q16696 2/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
PTGER3 P43115 1/20 0.43
PLA2G1B P04054 1/20 0.43
RAB9A P51151 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42

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 SCHEMBL27937879 0.92 VEGFA (0.52) VEGFAEGLN1SIGMAR1ALDH1A1LMNA
Tert-Butyl Formate SCHEMBL28809471 0.89 VEGFA (0.49) VEGFAEGLN1SIGMAR1ALDH1A1LMNA
Ethoxycarbonyl Group SCHEMBL27937850 0.89 VEGFA (0.49) VEGFAEGLN1KDM4EALDH1A1LMNA
SCHEMBL12598836 0.88 VEGFA (0.76) VEGFAEGLN1SIGMAR1CYP2A13KDM4E
SCHEMBL1867899 0.86 VEGFA (0.59) VEGFAEGLN1CYP2A13KDM4EALDH1A1
SCHEMBL1869387 0.86 VEGFA (0.64) VEGFAEGLN1SIGMAR1CYP2A13KDM4E
SCHEMBL1868736 0.86 VEGFA (0.64) VEGFAEGLN1SIGMAR1CYP2A13KDM4E
SCHEMBL1771037 0.84 VEGFA (0.65) VEGFAEGLN1SIGMAR1KDM4EALDH1A1
SCHEMBL24254260 0.83 VEGFA (0.63) VEGFAEGLN1ALDH1A1LMNAMEN1
SCHEMBL27937875 0.82 ALDH1A1 (0.45) VEGFAEGLN1SIGMAR1CYP2A13KDM4E

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