SCHEMBL26921663

SCHEMBL26921663

CC(I)Oc1cccc([N+](=O)[O-])c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HSPB1 P04792 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
RECQL P46063 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.39
GPR35 Q9HC97 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL8229692 0.87 TDP1 (0.48) TDP1ALDH1A1HSPB1L3MBTL1NPC1
SCHEMBL29509634 0.82 HSPB1 (0.45) TDP1ALDH1A1HSPB1L3MBTL1NPC1
SCHEMBL12480460 0.82 HSPB1 (0.45) TDP1ALDH1A1HSPB1L3MBTL1NPC1
SCHEMBL11693495 0.78 TDP1 (0.67) TDP1ALDH1A1HSPB1L3MBTL1NPC1
SCHEMBL9004049 0.75 TDP1 (0.48) TDP1ALDH1A1L3MBTL1RECQLSMN1; SMN2
SCHEMBL26921178 0.74 ALDH1A1 (0.57) TDP1ALDH1A1HSPB1L3MBTL1NPC1
SCHEMBL20797745 0.74 ALDH1A1 (0.51) TDP1ALDH1A1HSPB1L3MBTL1NPC1
SCHEMBL3010961 0.73 TDP1 (0.61) TDP1ALDH1A1HSPB1SMN1; SMN2TSHR
SCHEMBL29231859 0.73 ALDH1A1 (0.43) TDP1ALDH1A1HSPB1L3MBTL1NPC1
SCHEMBL14333927 0.72 PDK1 (0.48) TDP1ALDH1A1HSPB1L3MBTL1NPC1

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-4288433-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2023-12-13 EP disclosed