SCHEMBL22686454

SCHEMBL22686454

COc1ncnc(NS(=O)(=O)c2ccc(NC3CCCCC3)cc2)c1OC

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.63
CYP19A1 P11511 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.41
SCN9A Q15858 1/20 0.41
POLB P06746 1/20 0.40
GFER P55789 1/20 0.40
CCR4 P51679 1/20 0.39
EDNRA P25101 1/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL22686308 0.83 ESR1 (0.58) ESR1CYP19A1MEN1KMT2AGAA
SCHEMBL22686421 0.79 ESR1 (0.58) ESR1CYP19A1MEN1KMT2AGAA
Sulfadoxine SCHEMBL29390814 0.78 ESR1 (1.00) ESR1CYP19A1MEN1KMT2AALDH1A1
Sulfadoxine SCHEMBL41069 0.78 ESR1 (1.00) ESR1CYP19A1MEN1KMT2AALDH1A1
SCHEMBL2728564 0.77 GAA (0.69) ESR1CYP19A1MEN1KMT2AGAA
SCHEMBL21753107 0.77 ESR1 (0.76) ESR1CYP19A1MEN1KMT2ALMNA
SCHEMBL31548600 0.77 ESR1 (0.76) ESR1CYP19A1MEN1KMT2ALMNA
Sulfadoxine SCHEMBL28359083 0.77 ESR1 (0.97) ESR1CYP19A1MEN1KMT2AALDH1A1
Sulfadoxine SCHEMBL28436237 0.77 ESR1 (0.97) ESR1CYP19A1MEN1KMT2AALDH1A1
Sulfadoxine SCHEMBL28537335 0.77 ESR1 (0.97) ESR1CYP19A1MEN1KMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12497712-B2 Property modulation with chemical transformations REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2025-12-16 US disclosed
EP-3973534-A1 PROPERTY MODULATION WITH CHEMICAL TRANSFORMATIONS The Regents Of The University Of Michigan (US) 2022-03-30 EP disclosed
US-20200370204-A1 PROPERTY MODULATION WITH CHEMICAL TRANSFORMATIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2020-11-26 US disclosed
US-20200370204-A1 PROPERTY MODULATION WITH CHEMICAL TRANSFORMATIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2020-11-26 US disclosed