SCHEMBL20344792

SCHEMBL20344792

CCCn1c(=O)cc(C)c2cc(N[S+]([O-])Cc3ccc(C)cc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
MAPT P10636 1/20 0.35
CHRNA7 P36544 1/20 0.35
LMNA P02545 2/20 0.34
BRD1 O95696 1/20 0.34
BRPF1 P55201 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL20344781 0.88 KDM4E (0.39) KDM4EHSD17B10POLBL3MBTL1KMT2A
SCHEMBL20344791 0.77 BRPF1 (0.46) KDM4EHSD17B10POLBL3MBTL1PTGDR2
SCHEMBL20344803 0.73 MAPT (0.35) POLBKMT2AMEN1MAPTLMNA
SCHEMBL20344771 0.69 TP53 (0.39) KDM4EHSD17B10POLBL3MBTL1KMT2A
SCHEMBL20344753 0.69 BRPF1 (0.35) KDM4EHSD17B10POLBL3MBTL1PTGDR2
SCHEMBL20335474 0.69 KDM4E (0.51) KDM4EHSD17B10POLBL3MBTL1KMT2A
SCHEMBL19805120 0.68 TP53 (0.44) POLBKMT2AMEN1GAATSHR
SCHEMBL19805057 0.68 TP53 (0.34) POLBKMT2AMEN1CHRNA7ALDH1A1
SCHEMBL20344772 0.68 BRPF1 (0.42) KDM4EHSD17B10POLBL3MBTL1KMT2A
SCHEMBL20344728 0.67 BRPF1 (0.36) MAPTBRD1BRPF1TP53

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
EP-3342766-B1 SMALL MOLECULE COMPOUND FOR ENHANCING PLANT STRESS RESISTANCE CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2020-12-09 EP disclosed
EP-3342766-A1 SMALL MOLECULE COMPOUND FOR ENHANCING PLANT STRESS RESISTANCE Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences (CN) 2018-07-04 EP disclosed