SCHEMBL20142145

SCHEMBL20142145

CNCC(O)c1ccc(OC(=O)I)c(OC(=O)I)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.71
ALDH1A1 P00352 3/20 0.71
CYP3A4 P08684 2/20 0.71
LMNA P02545 2/20 0.71
ADRB2 P07550 6/20 0.69
KDM4E B2RXH2 6/20 0.50
TDP1 Q9NUW8 5/20 0.50
ADRA2A P08913 4/20 0.50
ADRA2C P18825 4/20 0.50
MAPT P10636 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TSHR P16473 3/20 0.50
ADRB1 P08588 3/20 0.50
ADRB3 P13945 3/20 0.50
ADRA2B P18089 3/20 0.50
DRD1 P21728 3/20 0.50
ADRA1A P35348 3/20 0.50
DRD3 P35462 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL23318966 0.87 HIF1A (0.72) HIF1AALDH1A1CYP3A4LMNAADRB2
SCHEMBL23337952 0.85 HIF1A (0.71) HIF1AALDH1A1CYP3A4LMNAADRB2
SCHEMBL20142428 0.84 HIF1A (0.69) HIF1AALDH1A1CYP3A4LMNAADRB2
SCHEMBL23339039 0.84 HIF1A (0.69) HIF1AALDH1A1CYP3A4LMNAADRB2
Dibutepinephrine SCHEMBL20141839 0.84 HIF1A (0.69) HIF1AALDH1A1CYP3A4LMNAADRB2
SCHEMBL23318973 0.83 HIF1A (0.67) HIF1AALDH1A1CYP3A4LMNAADRB2
Dipivefrin SCHEMBL24713 0.83 HIF1A (1.00) HIF1AALDH1A1CYP3A4LMNAADRB2
Dipivefrin SCHEMBL24714 0.83 HIF1A (1.00) HIF1AALDH1A1CYP3A4LMNAADRB2
Dipivefrin SCHEMBL20673238 0.83 HIF1A (1.00) HIF1AALDH1A1CYP3A4LMNAADRB2
SCHEMBL20142394 0.83 HIF1A (0.67) HIF1AALDH1A1CYP3A4LMNAADRB2

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-2018089570-A1 PHARMACEUTICAL FORMULATION FOR SUBLINGUAL OR BUCCAL DELIVERY OF EPINEPHRINE IONO PHARMA, LLC (US) 2018-05-17 WO disclosed