SCHEMBL9867010

SCHEMBL9867010

Cc1ccc(-n2nc3c(cc2=O)CCc2ccc(OC(C)C[N+](C)(C)C)cc2-3)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.33
GAA P10253 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 2/20 0.33
MET P08581 1/20 0.32
TSHR P16473 2/20 0.32
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
Iodide SCHEMBL10445022 0.99 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9865213 0.88 HRH3 (0.37) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9865646 0.86 MCHR1 (0.40) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9866678 0.86 HRH3 (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
Iodide SCHEMBL10445057 0.85 HRH3 (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9867236 0.81 MCHR1 (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9866270 0.81 MCHR1 (0.42) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9867683 0.79 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9866493 0.79 HRH3 (0.41) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9865428 0.79 MCHR1 (0.38) ALDH1A1MEN1KMT2AMAPTKDM4E

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
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed