SCHEMBL325607

SCHEMBL325607

O=C(O)NCCNC(=O)Nc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 3/20 0.62
HTT P42858 2/20 0.62
SMN1; SMN2 Q16637 4/20 0.61
TP53 P04637 2/20 0.61
TSHR P16473 1/20 0.61
EPHX2 P34913 1/20 0.61
CDK9 P50750 1/20 0.61
CLK4 Q9HAZ1 1/20 0.61
HDAC1 Q13547 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
HPGD P15428 1/20 0.57
POLB P06746 1/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL11051077 0.94 EPHX1 (0.70) EPHX1KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL2446111 0.86 EPHX1 (0.77) EPHX1KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL10077312 0.85 CNR1 (0.70) EPHX1KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL8338635 0.85 EPHX1 (0.63) EPHX1KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL321835 0.85 MAOA (0.58) EPHX1KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL19420655 0.84 EPHX1 (0.83) EPHX1KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL9547553 0.84 EPHX1 (0.83) EPHX1KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL3513673 0.84 EPHX1 (0.64) EPHX1KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL2894033 0.84 EPHX1 (0.64) EPHX1KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL28269720 0.83 EPHX1 (0.58) EPHX1KDM4EALDH1A1HTTSMN1; 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-2590937-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES The University Of Nottingham (GB) 2013-05-15 EP disclosed
WO-2012004549-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2012-01-12 WO disclosed