SCHEMBL9657287

SCHEMBL9657287

O=C(O)c1ccc([N+](=O)[O-])c(S(=O)(=O)CCO)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.55
TSHR P16473 2/20 0.51
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HCAR3 P49019 10/20 0.45
APEX1 P27695 1/20 0.45

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
SCHEMBL9658195 0.89 POLB (0.56) CASP6TSHRPOLBLMNAMEN1
SCHEMBL10955118 0.81 GSTP1 (0.44) MEN1KMT2A
SCHEMBL7591997 0.80 CASP6 (0.64) CASP6TSHRPOLBLMNAMEN1
SCHEMBL31401277 0.79 PTK2B (0.52) POLBLMNAMEN1KMT2A
SCHEMBL18113472 0.79 CASP6 (0.62) CASP6TSHRPOLBLMNAMEN1
SCHEMBL9500729 0.77 CASP6 (0.58) CASP6TSHRPOLBLMNAMEN1
SCHEMBL31401069 0.76 SMN1; SMN2 (0.52) TSHRPOLBKMT2AAPEX1
SCHEMBL27506959 0.76 TSHR (0.47) CASP6TSHRPOLBLMNAMEN1
SCHEMBL23704932 0.75 CASP6 (0.57) CASP6TSHRPOLBLMNAMEN1
SCHEMBL9658492 0.75 DTYMK (0.51) CASP6TSHRPOLBMEN1KMT2A

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
US-5101069-A PROCESS FOR THE PREPARATION OF HYDROXYETHYLSULFONYLNITRO- AND HYDROXYETHYLSULFONYLAMINO-BENZOIC ACIDS HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
US-4960929-A Chemical intermediate for making fiber reactive azo dyes HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed