SCHEMBL9749517

SCHEMBL9749517

O=[N+]([O-])c1c(Cl)cccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.60
CRHR2 Q13324 3/20 0.60
TSHR P16473 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
HSP90AA1 P07900 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PTK2B Q14289 1/20 0.50
SLC25A1 P53007 1/20 0.50
DDX3X O00571 1/20 0.49
RECQL P46063 1/20 0.49
PKM P14618 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
SLC40A1 Q9NP59 1/20 0.48
ERBB2 P04626 1/20 0.48
HSP90AB1 P08238 1/20 0.48
CA12 O43570 1/20 0.48

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
SCHEMBL8026294 0.82 DDX3X (0.63) CRHBPCRHR2MEN1KMT2AALDH1A1
SCHEMBL3619602 0.82 ALDH1A1 (0.51) CRHBPCRHR2TSHRMEN1KMT2A
SCHEMBL10619003 0.82 FFAR4 (0.53) CRHBPCRHR2MEN1KMT2AALDH1A1
SCHEMBL3791578 0.79 TSHR (0.74) CRHBPCRHR2TSHRMEN1KMT2A
SCHEMBL1970882 0.79 CRHBP (0.72) CRHBPCRHR2TSHRMEN1KMT2A
SCHEMBL7569069 0.78 TSHR (0.58) CRHBPCRHR2TSHRMEN1KMT2A
SCHEMBL11872858 0.77 DDX3X (0.71) CRHBPCRHR2TSHRMEN1KMT2A
SCHEMBL28711028 0.77 ALDH1A1 (0.70) CRHBPCRHR2MEN1KMT2AALDH1A1
SCHEMBL30561863 0.76 ALDH1A1 (0.66) CRHBPCRHR2KMT2AALDH1A1MAPT
SCHEMBL2003165 0.76 ALDH1A1 (0.66) CRHBPCRHR2KMT2AALDH1A1MAPT

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-5132461-A Process for the production of 4-[ethyl-(2'-hydroxyethyl)-amino]-1-[(2'-hydroxyethyl)-amino]-2-nitro-benzene WELLA AKTIENGESELLSCHAFT (DE) 1992-07-21 US disclosed
US-4900869-A Process for the production of 4-[ethyl-(2'-hydroxyethyl)-amino]-1-[(2'-hydroxyethyl)-amino]-2-nitrobenzene Wella, Aktiengesellschaft (DE) 1990-02-13 US disclosed