SCHEMBL22340673

SCHEMBL22340673

COc1ccccc1C(=O)N1CCCc2cc(C)ccc21

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
MEN1 O00255 3/20 0.69
ALDH1A1 P00352 6/20 0.65
KDM4E B2RXH2 1/20 0.63
PDK1 Q15118 1/20 0.62
PDK2 Q15119 1/20 0.62
PDK3 Q15120 1/20 0.62
PDK4 Q16654 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
TSHR P16473 1/20 0.59
HTT P42858 1/20 0.59
NPSR1 Q6W5P4 1/20 0.58
TP53 P04637 1/20 0.56
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL14307268 0.82 PDE4A (0.74) KMT2AMEN1ALDH1A1KDM4EPDK1
SCHEMBL3618299 0.80 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13317262 0.80 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1KDM4EPDK1
SCHEMBL11948287 0.78 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1KDM4EPDK1
SCHEMBL27438746 0.78 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7021322 0.78 PDE4A (0.55) KMT2AMEN1ALDH1A1KDM4EPDK1
SCHEMBL18773823 0.77 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1KDM4EPDK1
SCHEMBL7019317 0.77 KDM4E (0.55) KMT2AMEN1ALDH1A1KDM4EPDK1
SCHEMBL16589864 0.77 PDK1 (1.00) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL156256 0.76 NOTUM (0.82) KMT2AMEN1ALDH1A1KDM4EPDK1

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-2020163236-A1 TREATING LONG QT SYNDROME THE GENERAL HOSPITAL CORPORATION (US) 2020-08-13 WO disclosed