SCHEMBL5168239

SCHEMBL5168239

O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.72
NPC1 O15118 6/20 0.72
RAB9A P51151 6/20 0.72
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
KCNK3 O14649 1/20 0.67
CASP3 P42574 2/20 0.66
SENP7 Q9BQF6 2/20 0.66
SENP6 Q9GZR1 2/20 0.66
KDM4E B2RXH2 1/20 0.66
HPGD P15428 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
NR1H4 Q96RI1 1/20 0.60
AR P10275 1/20 0.60
FFAR1 O14842 1/20 0.60
SENP8 Q96LD8 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.56
MAPT P10636 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
SCHEMBL18330540 0.96 KMT2A (0.68) PGRNPC1RAB9AMEN1KMT2A
SCHEMBL9240473 0.90 PGR (0.84) PGRNPC1RAB9AMEN1KMT2A
SCHEMBL6027951 0.86 MEN1 (0.88) NPC1RAB9AMEN1KMT2AKCNK3
SCHEMBL30643220 0.86 MEN1 (0.88) NPC1RAB9AMEN1KMT2AKCNK3
SCHEMBL5694520 0.85 PGR (1.00) PGRNPC1RAB9AMEN1KMT2A
SCHEMBL7152809 0.83 FFAR1 (0.75) PGRNPC1RAB9AMEN1KMT2A
SCHEMBL30739642 0.83 KMT2A (0.86) NPC1RAB9AMEN1KMT2AKCNK3
SCHEMBL16677982 0.83 PGR (0.83) PGRNPC1RAB9AMEN1KMT2A
SCHEMBL8361085 0.83 PGR (0.96) PGRNPC1RAB9AMEN1KMT2A
SCHEMBL6479304 0.83 PGR (0.72) PGRNPC1RAB9AMEN1KMT2A

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-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed