SCHEMBL7764293

SCHEMBL7764293

CCOC(=O)c1cc([N+](=O)[O-])sc1N=Nc1ccc([N+](C)(CC)c2ccc(S(=O)(=O)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.36
HTT P42858 3/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
CRHBP P24387 1/20 0.36
RAB9A P51151 1/20 0.36
CRHR2 Q13324 1/20 0.36
MAPT P10636 7/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.33
GALR2 O43603 1/20 0.33
MITF O75030 1/20 0.33
HSP90AA1 P07900 1/20 0.33
XBP1 P17861 1/20 0.33
CCR6 P51684 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7764302 0.89 LMNA (0.40) LMNAALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL7772368 0.85 ALDH1A1 (0.37) LMNAALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL8724005 0.81 LMNA (0.39) LMNAALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL8724009 0.81 LMNA (0.39) LMNAALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL7764296 0.79 ALDH1A1 (0.39) LMNAALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL8725193 0.79 LMNA (0.38) LMNAALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL7764305 0.77 LMNA (0.37) LMNAALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL7772369 0.75 LMNA (0.36) LMNAALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL10119042 0.70 ALDH1A1 (0.41) LMNAALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL7768401 0.70 MAOB (0.33) SMN1; SMN2GAARAB9AMAPTL3MBTL1

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-0740690-B1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF SYNGENTA LTD (GB) 2001-06-20 EP disclosed