SCHEMBL5169625

SCHEMBL5169625

O=C(O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.69
KDM4E B2RXH2 1/20 0.64
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
KMT2A Q03164 10/20 0.58
MEN1 O00255 9/20 0.58
MAPT P10636 5/20 0.58
NPC1 O15118 4/20 0.58
MAPK1 P28482 3/20 0.58
RAB9A P51151 3/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MYOC Q99972 1/20 0.58
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MITF O75030 1/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL5169615 1.00 FFAR1 (0.69) FFAR1KDM4ECRHBPCRHR2KMT2A
SCHEMBL22225262 0.89 FFAR1 (0.73) FFAR1KDM4ECRHBPCRHR2KMT2A
SCHEMBL3737969 0.88 MEN1 (0.73) FFAR1KDM4ECRHBPCRHR2KMT2A
SCHEMBL4690573 0.85 MEN1 (0.79) FFAR1KDM4ECRHBPCRHR2KMT2A
SCHEMBL2192999 0.84 FFAR1 (0.60) FFAR1KDM4ECRHBPCRHR2KMT2A
SCHEMBL10912746 0.84 FFAR1 (0.62) FFAR1KDM4ECRHBPCRHR2KMT2A
SCHEMBL6392968 0.83 MITF (0.69) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL4686933 0.83 KMT2A (0.65) FFAR1KMT2AMEN1MAPTNPC1
SCHEMBL4686928 0.83 KMT2A (0.65) FFAR1KMT2AMEN1MAPTNPC1
SCHEMBL2858917 0.82 HSPB1 (0.54) FFAR1KMT2AMEN1MAPTMAPK1

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