SCHEMBL22701337

SCHEMBL22701337

CCOc1ccc(Nc2cc(Nc3ccc(NCCCn4cc[n+](C)c4)cc3)c(N)cc2NC)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
MAPKAPK2 P49137 4/20 0.34
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
QPCT Q16769 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
PLA2G1B P04054 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
EHMT2 Q96KQ7 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL22102730 0.94 MAPKAPK2 (0.36) GAAMAPKAPK2KMT2ASMN1; SMN2QPCT
SCHEMBL22701347 0.87 MEN1 (0.32) GAAKMT2ASMN1; SMN2MAPTHTT
SCHEMBL20268996 0.86 MEN1 (0.40) KMT2ASMN1; SMN2QPCTMAPTHTT
SCHEMBL20288337 0.84 MEN1 (0.39) KMT2ASMN1; SMN2MAPTHTTMEN1
SCHEMBL20267791 0.82 MAPT (0.36) KMT2ASMN1; SMN2MAPTHTTMEN1
SCHEMBL22102729 0.81 MAPT (0.36) GAAKMT2ASMN1; SMN2QPCTMAPT
SCHEMBL20280485 0.80 MEN1 (0.35) KMT2ASMN1; SMN2MAPTHTTMEN1
SCHEMBL20267798 0.80 MEN1 (0.35) GAAKMT2ASMN1; SMN2MAPTHTT
SCHEMBL20280488 0.78 MEN1 (0.34) KMT2ASMN1; SMN2MAPTHTTMEN1
SCHEMBL22701334 0.75 TSHR (0.51) GAAKMT2ASMN1; SMN2CTDSP1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3554466-B1 DISSYMMETRIC AZOMETHINE DIRECT DYES AND PROCESS FOR THEIR PREPARATION, COSMETIC COMPOSITION COMPRISING AT LEAST ONE SUCH DYE AND USE THEREOF OREAL (FR) 2020-11-25 EP disclosed