SCHEMBL28014189

SCHEMBL28014189

Cc1c(C(=O)NC(=O)NNN)cccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.43
BCAT2 O15382 1/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNA4 P43681 3/20 0.41
PDCD1 Q15116 5/20 0.40
CD274 Q9NZQ7 5/20 0.40
HNF4A P41235 1/20 0.40
MYC P01106 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
KAT6A Q92794 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL28254835 0.82 SUCNR1 (0.51) L3MBTL1SUCNR1BCAT2CHRNB2CHRNB4
SCHEMBL30402499 0.82 SUCNR1 (0.51) L3MBTL1SUCNR1BCAT2CHRNB2CHRNB4
SCHEMBL29256186 0.77 HDAC7 (0.59) L3MBTL1SUCNR1BCAT2CHRNB2CHRNB4
SCHEMBL28014318 0.76 ALDH1A1 (0.53) L3MBTL1BCAT2CHRNB2CHRNB4CHRNA3
SCHEMBL28819014 0.76 HTT (0.53) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30034930 0.74 BCAT2 (0.69) L3MBTL1BCAT2CHRNB2CHRNB4CHRNA3
SCHEMBL530285 0.74 BCAT2 (0.69) L3MBTL1BCAT2CHRNB2CHRNB4CHRNA3
SCHEMBL121422 0.73 HNF4A (0.63) L3MBTL1BCAT2PDCD1CD274HNF4A
SCHEMBL28019221 0.72 PPIA (0.49) L3MBTL1MEN1KMT2AALDH1A1GAA
SCHEMBL436284 0.72 KEAP1 (0.57) L3MBTL1SUCNR1CHRNB2CHRNB4CHRNA3

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-104592059-B 3-acylhydrazone diphenylurea derivative and its preparation method and application 青岛农业大学 2016-07-06 CN disclosed
CN-104610142-A 3-bishydrazide diphenylurea derivative, and preparation method and application of 3-bishydrazide diphenylurea derivative UNIV QINGDAO AGRICULTURAL 2015-05-13 CN disclosed
CN-104592059-A 3-acylhydrazone diphenylurea derivatives as well as preparation method and applications thereof UNIV QINGDAO AGRICULTURAL 2015-05-06 CN disclosed