SCHEMBL5149592

SCHEMBL5149592

Cc1cc(Oc2ccc([N+](=O)[O-])cc2)cc(C)c1NC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
MAPT P10636 4/20 0.56
MAPK1 P28482 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MYOC Q99972 1/20 0.56
SRD5A2 P31213 1/20 0.51
KDM4E B2RXH2 1/20 0.51
FFAR1 O14842 1/20 0.50
LMNA P02545 2/20 0.48
HTT P42858 3/20 0.48
HSPB1 P04792 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CYTH2 Q99418 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5151633 0.84 MAPT (0.58) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL5151640 0.84 MAPT (0.58) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL4690573 0.80 MEN1 (0.79) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL17997748 0.80 ALDH1A1 (0.50) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL12273311 0.79 SMN1; SMN2 (0.42) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL5149570 0.79 ALDH1A1 (0.53) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL4743116 0.79 MEN1 (0.55) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL31557883 0.78 MEN1 (0.60) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL4688634 0.77 MEN1 (0.56) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL4688637 0.77 MEN1 (0.56) MEN1KMT2AMAPTMAPK1NPC1

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-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed