SCHEMBL7565618

SCHEMBL7565618

O=[N+]([O-])c1c(Oc2cccc(-c3ccccc3F)c2[N+](=O)[O-])cccc1-c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.39
PIN1 Q13526 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RHEB Q15382 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
RECQL P46063 1/20 0.35

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
SCHEMBL27735809 0.84 NPC1 (0.43) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9223355 0.80 ALDH1A1 (0.43) MAPTSMN1; SMN2L3MBTL1HPGDPIN1
SCHEMBL10831459 0.80 EPAS1 (0.46) HSPB1L3MBTL1HPGDALDH1A1
SCHEMBL3208120 0.79 ALDH1A1 (0.52) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL15861931 0.78 SMN1; SMN2 (0.40) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL27756639 0.78 NPC1 (0.40) MAPTNPC1RAB9AHPGDMEN1
SCHEMBL1997338 0.77 TLR4 (0.46) HSPB1MAPTSMN1; SMN2L3MBTL1NPSR1
SCHEMBL16590518 0.74 TDP1 (0.57) MAPTSMN1; SMN2L3MBTL1HPGDMEN1
SCHEMBL21684753 0.74 HSPB1 (0.64) HSPB1MAPTSMN1; SMN2RAB9AL3MBTL1
SCHEMBL17599647 0.73 HTR1A (0.40) MEN1KMT2ARHEBALDH1A1

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-2002071057-A1 IONOPHORE-BASED SENSORS THERMO ORION INC. (US) 2002-09-12 WO disclosed