SCHEMBL28053365

SCHEMBL28053365

Cc1ccc(CNC(=O)c2ccccc2I)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.68
ALDH1A1 P00352 5/20 0.68
KDM4E B2RXH2 3/20 0.68
HSD17B10 Q99714 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
APEX1 P27695 1/20 0.57
TP53 P04637 3/20 0.54
GLA P06280 1/20 0.54
LMNA P02545 3/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 4/20 0.53
MAPK1 P28482 1/20 0.52
MAPK14 Q16539 1/20 0.52
MEN1 O00255 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL11319016 0.87 KMT2A (0.69) HPGDAPEX1TP53GLALMNA
SCHEMBL28053295 0.84 KMT2A (0.70) HPGDALDH1A1KDM4ESMN1; SMN2APEX1
SCHEMBL28053361 0.84 APEX1 (0.57) HPGDALDH1A1KDM4ESMN1; SMN2APEX1
SCHEMBL4182426 0.84 ALDH1A1 (0.62) HPGDALDH1A1KDM4ESMN1; SMN2APEX1
SCHEMBL1034235 0.84 HPGD (0.72) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL19746688 0.84 HPGD (0.67) HPGDALDH1A1SMN1; SMN2TP53GLA
SCHEMBL29285015 0.83 APEX1 (0.64) HPGDALDH1A1HSD17B10SMN1; SMN2APEX1
SCHEMBL7823453 0.83 APEX1 (0.84) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL15686093 0.81 HPGD (0.68) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL29433995 0.81 HPGD (1.00) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2

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
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