SCHEMBL19075272

SCHEMBL19075272

[N-]=[N+]=NCc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ CA2 P00918 4/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NT5E P21589 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.37
▸ MIF P14174 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CA1 P00915 2/20 0.34
▸ CA5A P35218 1/20 0.34

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
SCHEMBL14270120 0.81 GRIN2B (0.43) CA2CA9HDAC3HDAC1HDAC2
SCHEMBL13692907 0.81 CA2 (0.55) CA2CA9SMN1; SMN2MIFCA1
SCHEMBL15212273 0.79 CA2 (0.37) CA2CA9HDAC3HDAC1HDAC2
SCHEMBL14270216 0.77 LMNA (0.44) LMNACA2CA9HDAC3HDAC1
SCHEMBL14270218 0.77 SMN1; SMN2 (0.52) LMNACA2CA9HDAC3HDAC1
SCHEMBL22614972 0.77 USP2 (0.56) TSHRALDH1A1POLBSMN1; SMN2TDP1
SCHEMBL28435857 0.76 ALDH1A1 (0.44) LMNACA2CA9TSHRALDH1A1
SCHEMBL14270205 0.76 ALDH1A1 (0.51) LMNACA2CA9HDAC3HDAC1
SCHEMBL7582804 0.75 LMNA (0.46) LMNACA2CA9TSHRALDH1A1
SCHEMBL20080951 0.75 LMNA (0.46) LMNACA2CA9TSHRALDH1A1

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-2618215-B1 Method for producing a lithographic printing plate FUJIFILM CORP (JP) 2017-07-05 — — EP disclosed
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