SCHEMBL9805877

SCHEMBL9805877

CC(O)S(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
GAA P10253 1/20 0.62
HTT P42858 1/20 0.62
CA2 P00918 3/20 0.58
CA5A P35218 1/20 0.58
MMP2 P08253 2/20 0.58
CA1 P00915 1/20 0.58
MMP1 P03956 1/20 0.58
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
MMP13 P45452 1/20 0.58
F2 P00734 3/20 0.54
PRSS1 P07477 3/20 0.54
PRSS2 P07478 3/20 0.54
PRSS3 P35030 3/20 0.54
MEN1 O00255 2/20 0.53
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL9398531 0.87 KMT2A (0.66) KMT2AGAAHTTCA2CA5A
SCHEMBL17443262 0.83 CA2 (0.57) KMT2AGAAHTTCA2CA5A
SCHEMBL17443316 0.82 KMT2A (0.59) KMT2AGAAHTTCA2CA5A
SCHEMBL10785273 0.81 KMT2A (0.54) KMT2ACA2CA5AMMP2CA1
SCHEMBL5878505 0.80 CA2 (0.67) KMT2AGAAHTTCA2CA5A
SCHEMBL11077619 0.80 KMT2A (0.57) KMT2AGAAHTTCA2CA5A
SCHEMBL11765302 0.80 KMT2A (0.66) KMT2AGAAHTTCA2CA5A
SCHEMBL6544644 0.80 KMT2A (0.66) KMT2AGAAHTTCA2CA5A
SCHEMBL17443297 0.80 KMT2A (0.53) KMT2AGAAHTTCA2CA5A
SCHEMBL17443311 0.80 CA2 (0.54) KMT2AGAAHTTCA2CA5A

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-0283900-B1 WATER SOLUBLE AZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-10 EP claimed