SCHEMBL9757428

SCHEMBL9757428

CC(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KCNH2 Q12809 1/20 0.53
HDAC1 Q13547 1/20 0.53
ALDH1A1 P00352 2/20 0.51
ADRA2A P08913 2/20 0.51
SLC6A2 P23975 2/20 0.51
HTR2C P28335 2/20 0.51
SLC6A4 P31645 2/20 0.51
HTR2B P41595 2/20 0.51
CYP1A2 P05177 1/20 0.51
MAOA P21397 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ABCB1 P08183 1/20 0.51
ACHE P22303 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
BTK Q06187 1/20 0.49
NAMPT P43490 1/20 0.49
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL2243766 0.81 L3MBTL3 (0.62) MEN1KMT2AHDAC1ALDH1A1ADRA2A
SCHEMBL8120677 0.81 SIGMAR1 (0.52) KCNH2HDAC1ALDH1A1ADRA2ASLC6A2
SCHEMBL9757217 0.79 SIGMAR1 (0.50) KCNH2HDAC1ALDH1A1ADRA2ASLC6A2
SCHEMBL23033079 0.77 HDAC1 (0.50) MEN1KMT2AHDAC1ALDH1A1KDM4E
SCHEMBL9316466 0.77 TMEM97 (0.49) KCNH2HDAC1ALDH1A1ADRA2ASLC6A2
SCHEMBL23033083 0.77 NAMPT (0.48) MEN1KMT2AHDAC1ALDH1A1ADRA2A
SCHEMBL8126590 0.76 OPRK1 (0.54) KMT2AKCNH2HDAC1ALDH1A1ADRA2A
SCHEMBL1205833 0.76 ACACB (0.55) MEN1KMT2AKCNH2HDAC1ALDH1A1
SCHEMBL14626036 0.76 CYP1A2 (0.54) HDAC1ALDH1A1ADRA2ASLC6A2HTR2C
SCHEMBL8122252 0.76 HDAC1 (0.55) MEN1KMT2AKCNH2HDAC1ADRA2A

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
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed