SCHEMBL11596103

SCHEMBL11596103

CCN(CC)c1ccc(C)c(C(c2cc(N(CC)CC)ccc2C)c2ccccc2S(=O)(=O)O)c1.[Na]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
MCL1 Q07820 1/20 0.38
HSD11B1 P28845 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HSP90AA1 P07900 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
S100B P04271 1/20 0.36
CNR2 P34972 6/20 0.35
CNR1 P21554 4/20 0.35
POLB P06746 2/20 0.35
ESR1 P03372 2/20 0.35
NSD2 O96028 1/20 0.35

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
SCHEMBL11596099 0.88 MAPT (0.48) MAPTPKMGAAHTTMCL1
SCHEMBL238297 0.82 CNR2 (0.45) PKML3MBTL1MEN1KMT2AHSP90AA1
SCHEMBL10595694 0.82 CNR2 (0.43) MAPTHTTMCL1HSD11B1L3MBTL1
SCHEMBL30487077 0.80 ALDH1A1 (0.44) MAPTHTTMCL1HSD11B1L3MBTL1
SCHEMBL2107754 0.80 ALDH1A1 (0.44) MAPTHTTMCL1HSD11B1L3MBTL1
SCHEMBL81552 0.79 S100B (0.53) MAPTPKMGAAHTTMCL1
SCHEMBL22403037 0.78 MYC (0.34) L3MBTL1MEN1KMT2AHSP90AA1ALDH1A1
Oxalic Acid SCHEMBL238206 0.77 S100B (0.45) MAPTHTTL3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL237232 0.76 S100B (0.50) MAPTPKMGAAHTTMCL1
SCHEMBL80268 0.76 MAPT (0.58) MAPTPKMGAAHTTMCL1

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-4090877-A COLOR PHOTOGRAPHY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1978-05-23 US claimed
US-4090877-A COLOR PHOTOGRAPHY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1978-05-23 US disclosed