SCHEMBL8540310

SCHEMBL8540310

CCON=C(C(=O)NC)c1ccccc1CON=C(C)C(=NOC)c1ccc(OC2CCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.37
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
PDE5A O76074 2/20 0.33
MTNR1A P48039 1/20 0.32
KCNA5 P22460 1/20 0.32
KCNH2 Q12809 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL7497225 0.96 HIF1A (0.40) HIF1AALDH1A1HTTKMT2AMEN1
SCHEMBL7494938 0.87 HIF1A (0.49) HIF1AALDH1A1HTTKMT2AMEN1
SCHEMBL17949971 0.85 HIF1A (0.45) HIF1AALDH1A1KMT2AMEN1LMNA
SCHEMBL7495777 0.85 HIF1A (0.44) HIF1AKMT2AMEN1LMNA
SCHEMBL7498528 0.82 HIF1A (0.39) HIF1AKCNH2
SCHEMBL8540309 0.82 ALDH1A1 (0.36) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL7492706 0.82 HIF1A (0.42) HIF1AKMT2AMEN1EPHX2
SCHEMBL7716053 0.81 HIF1A (0.48) HIF1AALDH1A1HTTKMT2AMEN1
SCHEMBL17937973 0.81 HIF1A (0.48) HIF1AALDH1A1HTTKMT2AMEN1
SCHEMBL7716055 0.81 HIF1A (0.48) HIF1AALDH1A1HTTKMT2AMEN1

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-0865424-A1 PESTICIDES Novartis AG (CH) 1998-09-23 EP disclosed
WO-1997020809-A1 PESTICIDES NOVARTIS AG (CH) 1997-06-12 WO disclosed