SCHEMBL11060413

SCHEMBL11060413

O=[N+]([O-])c1cc(OS(=O)(=O)Cl)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.56
ALDH1A1 P00352 3/20 0.50
HIF1A Q16665 1/20 0.50
MAPT P10636 4/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MITF O75030 1/20 0.44
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSPB1 P04792 4/20 0.40
EPAS1 Q99814 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CA1 P00915 2/20 0.38
MMP2 P08253 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9913527 0.83 VCAM1 (0.54) VCAM1ALDH1A1HIF1AMAPTGAA
SCHEMBL9734010 0.82 VCAM1 (0.54) VCAM1ALDH1A1MAPTLMNA
SCHEMBL377111 0.76 VCAM1 (0.73) VCAM1ALDH1A1HIF1AMAPTGAA
SCHEMBL3192746 0.76 ALDH1A1 (0.56) VCAM1ALDH1A1HIF1AMAPTHTT
SCHEMBL29744326 0.76 ALDH1A1 (0.56) VCAM1ALDH1A1HIF1AMAPTHTT
SCHEMBL27542809 0.76 VCAM1 (0.62) VCAM1ALDH1A1HIF1AMAPTGAA
SCHEMBL9506637 0.75 TDP1 (0.42) VCAM1ALDH1A1MAPTLMNANPSR1
SCHEMBL1275648 0.73 ALDH1A1 (0.53) VCAM1ALDH1A1HIF1AMAPTGAA
SCHEMBL31237064 0.73 ALDH1A1 (0.53) VCAM1ALDH1A1HIF1AMAPTGAA
SCHEMBL19554133 0.73 ALDH1A1 (0.53) VCAM1ALDH1A1HIF1AMAPTGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4444867-A DYE DIFFUSION TRANSFER AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1984-04-24 US disclosed
EP-0093311-A2 Photographic transfer recording material and non diffusible sulfilimin compounds for use therein Agfa-Gevaert AG (DE) 1983-11-09 EP disclosed