SCHEMBL9657284

SCHEMBL9657284

CC(O)S(=O)(=O)c1cc(C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.55
TSHR P16473 2/20 0.55
HCAR3 P49019 11/20 0.51
LMNA P02545 1/20 0.48
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL23704932 0.90 CASP6 (0.57) CASP6TSHRHCAR3LMNAPOLB
SCHEMBL9658192 0.89 POLB (0.56) CASP6TSHRHCAR3LMNAPOLB
SCHEMBL18113472 0.82 CASP6 (0.62) CASP6TSHRHCAR3LMNAPOLB
SCHEMBL7591997 0.80 CASP6 (0.64) CASP6TSHRHCAR3LMNAPOLB
SCHEMBL9500729 0.79 CASP6 (0.58) CASP6TSHRHCAR3LMNAPOLB
SCHEMBL7712098 0.76 CASP6 (0.62) CASP6TSHRHCAR3LMNAMEN1
SCHEMBL9658489 0.75 DTYMK (0.51) CASP6TSHRHCAR3LMNAPOLB
SCHEMBL10782304 0.75 KMT2A (0.59) LMNAPOLBMEN1KMT2A
SCHEMBL9657287 0.74 CASP6 (0.55) CASP6TSHRHCAR3LMNAPOLB
SCHEMBL17576549 0.74 CASP6 (0.64) CASP6TSHRHCAR3LMNAMEN1

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