SCHEMBL10696580

SCHEMBL10696580

O=[N+]([O-])c1ccc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
NPSR1 Q6W5P4 1/20 0.63
RAB9A P51151 1/20 0.52
HSPB1 P04792 2/20 0.51
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.44
CXCR5 P32302 1/20 0.44
APLNR P35414 1/20 0.44
CCR6 P51684 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.42
PPARG P37231 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL10984838 0.85 MAPT (0.64) MAPTNPSR1RAB9AHSPB1POLB
SCHEMBL28165531 0.81 HSPB1 (0.55) MAPTNPSR1RAB9AHSPB1POLB
SCHEMBL11072229 0.80 MAPT (0.49) MAPTNPSR1RAB9AHSPB1KMT2A
SCHEMBL16479498 0.78 MAPT (0.64) MAPTNPSR1RAB9AHSPB1POLB
SCHEMBL3506280 0.77 MAPT (0.70) MAPTNPSR1RAB9AHSPB1POLB
SCHEMBL10697700 0.77 TDP1 (0.47) MAPTNPSR1RAB9APOLBGAA
SCHEMBL11014396 0.75 FAAH (0.48) MAPTNPSR1RAB9APOLBKMT2A
SCHEMBL27449389 0.75 HSPB1 (0.70) MAPTNPSR1RAB9AHSPB1POLB
SCHEMBL2234015 0.75 HSPB1 (0.46) MAPTNPSR1HSPB1POLBL3MBTL1
SCHEMBL10698683 0.75 TDP1 (0.44) MAPTNPSR1RAB9APOLBGAA

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
EP-0272533-A2 Substituted phenoxypyridines BAYER AG (DE) 1988-06-29 EP disclosed