SCHEMBL24254260

SCHEMBL24254260

O=c1c(O)c(CN2CCNCC2)ccn1Cc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 12/20 0.63
EGLN1 Q9GZT9 12/20 0.63
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
THRB P10828 1/20 0.43
PKM P14618 1/20 0.42
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2C P18825 1/20 0.40
CCR2 P41597 1/20 0.40
CXCL12 P48061 1/20 0.40
BLM P54132 1/20 0.40
CXCR4 P61073 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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 SCHEMBL27951057 0.91 VEGFA (0.59) VEGFAEGLN1LMNAHTTMAPT
SCHEMBL1865127 0.89 VEGFA (0.62) VEGFAEGLN1LMNAMAPTALDH1A1
Ethoxycarbonyl Group SCHEMBL27937883 0.89 VEGFA (0.56) VEGFAEGLN1LMNAHTTMAPT
Tert-Butyl Formate SCHEMBL27937886 0.89 VEGFA (0.64) VEGFAEGLN1LMNAHTTMAPT
SCHEMBL1870702 0.87 EGLN1 (0.63) VEGFAEGLN1LMNAHTTMAPT
SCHEMBL1873562 0.85 VEGFA (0.68) VEGFAEGLN1LMNAHTTMAPT
SCHEMBL24255673 0.85 VEGFA (0.68) VEGFAEGLN1LMNAHTTMAPT
SCHEMBL14889521 0.83 VEGFA (0.72) VEGFAEGLN1LMNAHTTMAPT
SCHEMBL1866444 0.83 VEGFA (0.60) VEGFAEGLN1LMNAHTTALDH1A1
SCHEMBL17028838 0.82 VEGFA (0.70) VEGFAEGLN1LMNAHTTMAPT

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-2022036269-A1 CRYSTALLINE FORMS OF AN HIF-1α PROLYL HYDROXYLASE INHIBITOR GB004, INC. (US) 2022-02-17 WO disclosed