SCHEMBL9550899

SCHEMBL9550899

[N-]=[N+]=C1C(=[N+]=[N-])c2ccccc2C(S(=O)(=O)O)=C1S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HIF1A Q16665 1/20 0.31
APAF1 O14727 1/20 0.30
TDP2 O95551 1/20 0.30
PGAM1 P18669 1/20 0.30
MEN1 O00255 1/20 0.30
CDC25B P30305 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8076780 0.75 SMN1; SMN2 (0.37) SMN1; SMN2TSHRLMNAHSP90AA1MAPT
SCHEMBL8076772 0.75 SMN1; SMN2 (0.37) SMN1; SMN2TSHRLMNAHSP90AA1MAPT
SCHEMBL8065777 0.71 PGAM1 (0.38) SMN1; SMN2TSHRLMNAMAPTHTT
SCHEMBL9245580 0.70 TSHR (0.31) SMN1; SMN2TSHR
SCHEMBL6015231 0.70 PTPN1 (0.41) SMN1; SMN2TSHRLMNAMAPTHTT
SCHEMBL11797393 0.70 MAPT (0.52) SMN1; SMN2TSHRLMNAHSP90AA1MAPT
SCHEMBL11650825 0.69 PTPN1 (0.40) SMN1; SMN2TSHRLMNAMAPTHIF1A
SCHEMBL9550880 0.69 MAOA (0.40) SMN1; SMN2TSHRLMNATDP2MEN1
SCHEMBL8936666 0.69 MEN1 (0.60) SMN1; SMN2TSHRLMNAMAPTHTT
SCHEMBL482108 0.67 MEN1 (0.38) SMN1; SMN2TSHRLMNAHSP90AA1MAPT

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
US-5231223-A PROCESS FOR THE ARYLATION OF OLEFINS BAYER AKTIENGESELLSCHAFT (DE) 1993-07-27 US disclosed