SCHEMBL5613592

SCHEMBL5613592

CN(C)c1ccc(C=Cc2nc3ccccc3nc2Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.51
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
MAPT P10636 7/20 0.49
RAB9A P51151 5/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
INSR P06213 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NCOA1 Q15788 2/20 0.47
APP P05067 2/20 0.47
S100A4 P26447 1/20 0.47
NPC1 O15118 3/20 0.46
KLF5 Q13887 1/20 0.46
ERBB2 P04626 1/20 0.43
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HBB P68871 1/20 0.42

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
SCHEMBL10371974 0.83 RELA (0.63) RELAMEN1KMT2AMAPTRAB9A
SCHEMBL10435447 0.83 RELA (0.63) RELAMEN1KMT2AMAPTRAB9A
SCHEMBL14619409 0.76 MAPT (0.55) RELAMEN1KMT2AMAPTRAB9A
SCHEMBL10435351 0.74 APP (0.61) RELAMEN1KMT2AMAPTRAB9A
SCHEMBL15958645 0.74 MAPT (0.52) RELAMEN1KMT2AMAPTRAB9A
SCHEMBL12676802 0.74 S100A4 (0.50) RELAMEN1KMT2AMAPTRAB9A
SCHEMBL30464972 0.72 MAPT (0.61) RELAMEN1KMT2AMAPTRAB9A
SCHEMBL9385952 0.71 S100A4 (0.53) RELAMEN1KMT2AMAPTRAB9A
SCHEMBL12669913 0.71 MAPT (0.49) RELAMEN1KMT2AMAPTRAB9A
SCHEMBL9000562 0.71 MAPT (0.64) RELAMEN1KMT2AMAPTRAB9A

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
JP-3928071-B2 2007-06-13 JP claimed
EP-0768860-A2 DENTAL IMPRESSION MATERIAL WITH CURE-INDICATING DYE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-04-23 EP claimed
WO-1996000560-A2 DENTAL IMPRESSION MATERIAL WITH CURE-INDICATING DYE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-11 WO claimed