SCHEMBL11585563

SCHEMBL11585563

O=C(O)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.64
SENP8 Q96LD8 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
SLC25A1 P53007 1/20 0.58
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 7/20 0.54
MEN1 O00255 5/20 0.54
TSHR P16473 1/20 0.54
POLB P06746 2/20 0.54
PGR P06401 1/20 0.53
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
PKM P14618 1/20 0.52
CA1 P00915 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51

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
SCHEMBL9996923 0.84 DDX3X (0.59) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL893934 0.82 CA2 (0.71) CASP3SENP8SENP7SENP6SLC25A1
SCHEMBL8366106 0.82 CASP3 (0.81) CASP3SENP8SENP7SENP6SLC25A1
SCHEMBL11584745 0.82 KMT2A (0.60) ALDH1A1KMT2AMEN1TSHRPOLB
SCHEMBL11583053 0.80 MEN1 (0.59) ALDH1A1KMT2AMEN1TSHRPOLB
SCHEMBL11584032 0.80 ALDH1A1 (0.81) ALDH1A1KMT2AMEN1TSHRPGR
SCHEMBL1025441 0.80 CASP3 (0.67) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL1025444 0.80 CASP3 (0.67) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL6721013 0.79 CASP3 (0.74) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL4101284 0.79 PGR (0.78) CASP3SENP8SENP7SENP6ALDH1A1

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
US-4101551-A WATER INSOLUBILITY, AFFINITY FOR POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-18 US disclosed