SCHEMBL7768256

SCHEMBL7768256

CCN(CC)Cc1ccccc1CN(CC)CC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 2/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 1/20 0.52
THRB P10828 1/20 0.52
APEX1 P27695 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
MCL1 Q07820 1/20 0.52
HKDC1 Q2TB90 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL31153347 1.00 TSHR (0.57) TSHRMAPTKDM4EMEN1ALDH1A1
SCHEMBL13469121 0.93 TSHR (0.52) TSHRMAPTKDM4EMEN1ALDH1A1
SCHEMBL26686946 0.91 TSHR (0.50) TSHRMAPTKDM4EMEN1ALDH1A1
SCHEMBL3957245 0.89 TSHR (0.48) TSHRMAPTKDM4EMEN1ALDH1A1
SCHEMBL12677859 0.85 MAPT (0.70) TSHRMAPTKDM4EMEN1ALDH1A1
SCHEMBL18297347 0.84 MAPT (0.68) TSHRMAPTKDM4EMEN1ALDH1A1
SCHEMBL1822448 0.84 PRKCI (0.60) TSHRMAPTKDM4EMEN1ALDH1A1
SCHEMBL4049148 0.84 TSHR (0.81) TSHRMAPTKDM4EMEN1ALDH1A1
SCHEMBL16715934 0.84 BCHE (0.54) TSHRMAPTKDM4EMEN1ALDH1A1
SCHEMBL2268255 0.84 TSHR (0.48) TSHRMAPTKDM4EMEN1ALDH1A1

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
EP-0825175-B1 Quaternary ammonium disinfectant NICCA CHEMICAL CO (JP) 2001-06-13 EP disclosed
EP-0825175-A1 Quaternary ammonium disinfectant NICCA CHEMICAL CO., LTD. (JP) 1998-02-25 EP disclosed
US-3971680-A AROMATIC QUATERNARY AMMONIUM POLYMER THE SHERWIN-WILLIAMS COMPANY (US) 1976-07-27 US disclosed