SCHEMBL1870466

SCHEMBL1870466

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 10/20 0.60
EGLN1 Q9GZT9 10/20 0.60
CHRM3 P20309 1/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE1C Q14123 1/20 0.43
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK14 Q16539 3/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41

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 SCHEMBL28797097 0.92 VEGFA (0.52) VEGFAEGLN1CHRM3PDE1CKMT2A
Tert-Butyl Formate SCHEMBL27882877 0.90 VEGFA (0.49) VEGFAEGLN1CHRM3PDE1CMAPK14
Ethoxycarbonyl Group SCHEMBL27866624 0.90 VEGFA (0.49) VEGFAEGLN1CHRM3PDE1CMAPK14
SCHEMBL17028831 0.87 VEGFA (0.60) VEGFAEGLN1SMN1; SMN2MEN1KMT2A
SCHEMBL1870702 0.87 EGLN1 (0.63) VEGFAEGLN1CHRM3SMN1; SMN2POLB
SCHEMBL1868340 0.87 VEGFA (0.63) VEGFAEGLN1ALDH1A1SMN1; SMN2PDE1C
SCHEMBL1866840 0.87 VEGFA (0.63) VEGFAEGLN1ALDH1A1SMN1; SMN2PDE1C
SCHEMBL1865127 0.86 VEGFA (0.62) VEGFAEGLN1ALDH1A1SMN1; SMN2POLB
SCHEMBL1770508 0.85 VEGFA (0.64) VEGFAEGLN1ALDH1A1SMN1; SMN2MEN1
SCHEMBL28797095 0.83 CHRM3 (0.44) VEGFAEGLN1CHRM3ALDH1A1SMN1; SMN2

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