SCHEMBL8542191

SCHEMBL8542191

CN(c1cccc(OCC(=O)O)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA4 P22748 3/20 0.53
CA9 Q16790 3/20 0.53
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NR1H3 Q13133 1/20 0.50
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL7327957 0.92 MEN1 (0.58) F2MEN1KMT2APOLBCA12
SCHEMBL7329319 0.87 F2 (0.54) F2MEN1KMT2APOLBHTT
SCHEMBL7335466 0.85 ESR1 (0.59) KMT2ACA12CA1CA2CA4
SCHEMBL14878181 0.83 F2 (0.67) F2MEN1KMT2APOLBCA12
SCHEMBL7328822 0.83 ESR1 (0.54) F2KMT2APOLBCA12CA1
SCHEMBL7324331 0.81 CA12 (0.61) MEN1KMT2ACA12CA1CA2
SCHEMBL10186896 0.80 PGR (0.70) F2CA12CA9SMN1; SMN2NR1H3
SCHEMBL7996336 0.80 LMNA (0.63) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL29955055 0.80 LMNA (0.63) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL7331867 0.80 KMT2A (0.57) F2MEN1KMT2APOLBLMNA

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
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed