SCHEMBL27778232

SCHEMBL27778232

O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Br)c(CCBr)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
CA12 O43570 4/20 0.40
CA7 P43166 3/20 0.40
GPR17 Q13304 4/20 0.40
P2RY2 P41231 2/20 0.40
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2287963 0.90 MAOA (0.48) MAOAALDH1A1HSP90AA1CA1CA2
SCHEMBL2288713 0.80 MAOA (0.45) MAOAALDH1A1HSP90AA1CA1CA2
SCHEMBL927603 0.74 ALDH1A1 (0.57) MAOAALDH1A1HSP90AA1CA1CA2
SCHEMBL27798969 0.74 KDM4E (0.41) ALDH1A1CA2ALPLALPICA12
SCHEMBL2290573 0.73 CA1 (0.41) MAOAALDH1A1HSP90AA1CA1CA2
SCHEMBL2290303 0.72 MEN1 (0.50) ALDH1A1CA2CA12MEN1MAPT
SCHEMBL27777970 0.72 HTR1D (0.44) CA1CA2
SCHEMBL30924182 0.72 LMNA (0.66) MAOAALDH1A1HSP90AA1CA1CA2
SCHEMBL14594621 0.70 HTT (0.62) MAOAALDH1A1HSP90AA1CA1CA2
SCHEMBL2234824 0.69 HSP90AA1 (0.63) MAOAALDH1A1HSP90AA1CA1CA2

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
CN-101679172-B Method for producing benzaldehyde compound SUMITOMO CO LTD 2013-05-29 CN disclosed
CN-101679172-A Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2010-03-24 CN disclosed