SCHEMBL28053358

SCHEMBL28053358

NC(=O)c1cccc(-c2cccc3ccccc23)c1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 1/20 0.49
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
BCAT2 O15382 1/20 0.44
ALOX5 P09917 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
RORC P51449 1/20 0.43
RORB Q92753 1/20 0.43

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
SCHEMBL5849850 0.86 BCAT2 (0.55) KDM4EPOLBSMN1; SMN2GAAALDH1A1
SCHEMBL31621277 0.86 BCAT2 (0.55) KDM4EPOLBSMN1; SMN2GAAALDH1A1
SCHEMBL30892682 0.86 BCAT2 (0.55) KDM4EPOLBSMN1; SMN2GAAALDH1A1
SCHEMBL8910680 0.83 KDM4E (0.51) KDM4EPOLBSMN1; SMN2GAAALDH1A1
SCHEMBL28323302 0.81 KDM4E (0.50) KDM4EPOLBSMN1; SMN2GAAALDH1A1
SCHEMBL9068297 0.81 KEAP1 (0.56) KDM4EPOLBSMN1; SMN2GAAALDH1A1
SCHEMBL27830752 0.80 NR4A1 (0.55) KDM4EPOLBSMN1; SMN2GAAALDH1A1
SCHEMBL30646218 0.78 BCAT2 (0.63) KDM4EPOLBSMN1; SMN2GAAALDH1A1
Carbamic Acid SCHEMBL31151006 0.78 ALOX5 (0.54) KDM4EGAAALDH1A1NR4A1NR4A2
SCHEMBL29381201 0.78 KDM4E (0.68) KDM4EPOLBSMN1; SMN2GAAALDH1A1

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
CN-105294597-A Benzothiazine derivative, and synthetic method and application thereof UNIV EAST CHINA NORMAL 2016-02-03 CN claimed
CN-105294597-B Benzothiazine derivatives and its synthetic method and application 华东师范大学 2017-11-24 CN disclosed
CN-105294597-A Benzothiazine derivative, and synthetic method and application thereof UNIV EAST CHINA NORMAL 2016-02-03 CN disclosed