SCHEMBL5528669

SCHEMBL5528669

O=C(Nc1ccccc1)Nc1ccc2c(c1)COCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 0.55
NPC1 O15118 14/20 0.55
KMT2A Q03164 7/20 0.55
MEN1 O00255 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
POLB P06746 2/20 0.55
PAX8 Q06710 1/20 0.53
KLF5 Q13887 1/20 0.53
MAPT P10636 3/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CNR1 P21554 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL10843775 0.81 CYP1A2 (0.56) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL12010919 0.81 RAB9A (0.84) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL12010887 0.76 KMT2A (0.72) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL16211043 0.72 KIF11 (0.40) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL107421 0.72 RAB9A (1.00) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL6204464 0.72 MAPT (0.38) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL11059378 0.71 SMN1; SMN2 (0.94) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL6707133 0.70 ALDH1A1 (0.55) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL31054230 0.70 NPC1 (1.00) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4115937 0.70 NPC1 (1.00) RAB9ANPC1KMT2AMEN1SMN1; 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-1778214-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 EP disclosed
WO-2006020358-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 WO disclosed