SCHEMBL28124654

SCHEMBL28124654

CC(=O)Nc1ccc2c(c1)sc1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
KMT2A Q03164 4/20 0.55
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
MAPT P10636 4/20 0.54
G6PD P11413 1/20 0.53
TLR9 Q9NR96 1/20 0.53
MAOA P21397 1/20 0.51
LDHA P00338 2/20 0.50
PSMB8 P28062 1/20 0.50
PARP14 Q460N5 1/20 0.50
LMNA P02545 1/20 0.49
PPARG P37231 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
MEN1 O00255 3/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
HCRTR1 O43613 1/20 0.48
ALDH1A1 P00352 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
SCHEMBL12278579 0.92 LDHA (0.57) KDM4EKMT2AMAPTG6PDTLR9
SCHEMBL5106815 0.90 MAPT (0.65) KDM4EKMT2AMTNR1AMTNR1BMAPT
SCHEMBL22281315 0.83 KDM4E (0.68) KDM4EKMT2AMTNR1AMTNR1BMAPT
SCHEMBL4874176 0.83 DYRK1A (0.51) KDM4EKMT2AMAPTG6PDTLR9
SCHEMBL17033113 0.82 SMN1; SMN2 (0.54) KDM4EKMT2AMTNR1AMTNR1BMAPT
SCHEMBL4869324 0.81 KDM4E (0.54) KDM4EKMT2AMTNR1AMTNR1BMAPT
SCHEMBL3776520 0.79 KMT2A (0.65) KDM4EKMT2AMTNR1AMTNR1BMAPT
SCHEMBL7111037 0.78 MAPT (0.54) KMT2AMAPTMEN1RAB9ANPC1
SCHEMBL21698302 0.78 GPR3 (0.54) KDM4EKMT2AMAPTMEN1RAB9A
SCHEMBL17283743 0.77 GPR3 (0.58) KDM4EKMT2AMAPTMEN1RAB9A

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
CN-106397397-B Diaryl and episulfide and selenides and its synthesis and application 华东师范大学 2019-02-01 CN claimed
CN-106397397-A Diaryl ring fused sulfides and diaryl ring fused selenides, and synthesis method and application thereof 华东师范大学 2017-02-15 CN claimed
CN-106397397-B Diaryl and episulfide and selenides and its synthesis and application 华东师范大学 2019-02-01 CN disclosed
CN-106397397-A Diaryl ring fused sulfides and diaryl ring fused selenides, and synthesis method and application thereof 华东师范大学 2017-02-15 CN disclosed