SCHEMBL8744875

SCHEMBL8744875

O=CNC(Cc1ccc(CC(NC=O)c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.58
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NCOA1 Q15788 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
SOAT1 P35610 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A4 P31645 1/20 0.42
CCR3 P51677 1/20 0.42

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
SCHEMBL3449549 0.96 EPHX1 (0.63) EPHX1MEN1KMT2ATAAR1HTT
SCHEMBL7042455 0.83 EPHX1 (0.49) EPHX1MEN1KMT2ATAAR1HTT
SCHEMBL11504959 0.81 MEN1 (0.47) EPHX1MEN1KMT2ATAAR1HTT
SCHEMBL9015357 0.80 KMT2A (0.50) EPHX1MEN1KMT2ATAAR1HTT
SCHEMBL24304092 0.79 TACR1 (0.51) EPHX1MEN1KMT2ATAAR1HTT
SCHEMBL5223140 0.78 MEN1 (0.47) EPHX1MEN1KMT2ATAAR1HTT
SCHEMBL4574137 0.78 RIPK1 (0.46) EPHX1MEN1KMT2ATAAR1L3MBTL1
SCHEMBL13140927 0.78 RIPK1 (0.46) EPHX1MEN1KMT2ATAAR1L3MBTL1
SCHEMBL12572468 0.78 RIPK1 (0.46) EPHX1MEN1KMT2ATAAR1L3MBTL1
SCHEMBL13317650 0.78 MEN1 (0.47) EPHX1MEN1KMT2ATAAR1HTT

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
EP-0754693-A2 Novel aminophenylphosphonic acid derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-01-22 EP disclosed