SCHEMBL46662

SCHEMBL46662

N=C/C=C\c1nc(-c2cccc(Nc3ncccc3C(N)=O)c2)c[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
MAPT P10636 4/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KCNH2 Q12809 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.43
AHR P35869 1/20 0.43
MAP4K2 Q12851 3/20 0.41
SYK P43405 7/20 0.39
HTT P42858 2/20 0.38
PKM P14618 2/20 0.38
MAPK1 P28482 2/20 0.38
DHODH Q02127 2/20 0.38
GMNN O75496 1/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL13844939 0.86 SYK (0.42) MEN1KMT2AKCNH2SYKHTT
SCHEMBL2714471 0.74 LMNA (0.70) LMNAMAPTRAB9AALDH1A1NPC1
SCHEMBL44141 0.71 LMNA (0.56) LMNAMAPTRAB9AALDH1A1NPC1
SCHEMBL28282946 0.70 LMNA (0.73) LMNAMAPTRAB9AALDH1A1NPC1
SCHEMBL29898238 0.69 LMNA (0.71) LMNAMAPTRAB9AALDH1A1NPC1
SCHEMBL28949487 0.69 LMNA (0.71) LMNAMAPTRAB9AALDH1A1NPC1
SCHEMBL9496511 0.69 LMNA (1.00) LMNAMAPTRAB9AALDH1A1NPC1
SCHEMBL28309786 0.69 LMNA (0.71) LMNAMAPTRAB9AALDH1A1NPC1
SCHEMBL5083062 0.69 RAB9A (0.72) LMNAMAPTRAB9AALDH1A1NPC1
SCHEMBL5255345 0.69 LMNA (0.71) LMNAMAPTRAB9AALDH1A1NPC1

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
EP-2214669-B1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2015-04-01 EP disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
WO-2009059162-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-05-07 WO disclosed