SCHEMBL3274606

SCHEMBL3274606

COc1cc(NC(C(C)O)S(=O)(=O)O)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.36
SHMT2 P34897 1/20 0.35

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
SCHEMBL1012824 0.75 KMT2A (0.46) KMT2AKDM4EPOLBSMN1; SMN2LMNA
SCHEMBL10037129 0.72 ALDH1A1 (0.52) KMT2AKDM4EPOLBSMN1; SMN2NPC1
SCHEMBL4421101 0.70 KMT2A (0.56) KMT2AKDM4EPOLBSMN1; SMN2NPC1
SCHEMBL11701069 0.70 KMT2A (0.56) KMT2AKDM4EPOLBSMN1; SMN2NPC1
SCHEMBL4421097 0.70 KMT2A (0.56) KMT2AKDM4EPOLBSMN1; SMN2NPC1
Sulfuric Acid SCHEMBL20984243 0.69 KMT2A (0.46) KMT2APOLBSMN1; SMN2LMNANPC1
SCHEMBL11056066 0.68 KMT2A (0.53) KMT2AKDM4EPOLBSMN1; SMN2NPC1
SCHEMBL11197901 0.68 KMT2A (0.53) KMT2AKDM4EPOLBSMN1; SMN2NPC1
SCHEMBL27450701 0.68 KMT2A (0.41) KMT2APOLBSMN1; SMN2LMNANPC1
SCHEMBL21359770 0.67 KMT2A (0.41) KMT2APOLBSMN1; SMN2LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230243857-A1 KIT AND METHOD DENKA COMPANY LIMITED (JP) 2023-08-03 US disclosed
EP-2199404-B1 METHOD OF REDUCING MEASUREMENT ERROR CAUSED BY CATALASE INHIBITION BY AZIDE DENKA SEIKEN KK (JP) 2013-11-27 EP disclosed
EP-2199404-A1 METHOD OF REDUCING MEASUREMENT ERROR CAUSED BY CATALASE INHIBITION BY AZIDE DENKA SEIKEN Co., Ltd. (JP) 2010-06-23 EP disclosed