SCHEMBL11530736

SCHEMBL11530736

Cc1cc(Nc2ccc(S(=O)(=O)CCO)cc2[N+](=O)[O-])ccc1N

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 11/20 0.51
ALDH1A1 P00352 5/20 0.49
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
EPAS1 Q99814 1/20 0.43
WNK1 Q9H4A3 1/20 0.43
HTT P42858 1/20 0.41

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
SCHEMBL9784323 0.86 NT5E (0.47) ALDH3A1ALDH1A1LMNASMN1; SMN2ATM
SCHEMBL9817732 0.85 MAPT (0.59) ALDH3A1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL10709590 0.85 ALDH3A1 (0.56) ALDH3A1ALDH1A1LMNASMN1; SMN2ATM
SCHEMBL9784327 0.84 NT5E (0.45) ALDH3A1ALDH1A1LMNASMN1; SMN2ATM
SCHEMBL10401552 0.83 MAPT (0.47) ALDH3A1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL10401890 0.82 MAPT (0.53) ALDH3A1ALDH1A1LMNAMAPTTDP1
SCHEMBL130972 0.77 CA2 (0.53) ALDH1A1LMNATDP1POLBHTT
SCHEMBL10884267 0.76 ALDH3A1 (0.59) ALDH3A1ALDH1A1LMNASMN1; SMN2ATM
SCHEMBL10401386 0.76 PRMT1 (0.47) ALDH3A1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL10531279 0.74 MAPT (0.53) ALDH3A1ALDH1A1LMNASMN1; SMN2MAPT

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-4145342-A NITRO-DIPHENYLAMINO-AZO-PHENYL DYESTUFFS CONTAINING A POLYALKYENEOXY GROUP BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 US disclosed