SCHEMBL2467191

SCHEMBL2467191

Cc1cc(N)cc(C)c1CC=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
IMPDH2 P12268 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.32
PDE10A Q9Y233 1/20 0.32
SLC11A2 P49281 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
CASP1 P29466 1/20 0.30

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
SCHEMBL14992608 0.86 IMPDH2 (0.32) ALDH1A1TSHRIMPDH2
SCHEMBL2464560 0.86 CYP3A4 (0.39) ALDH1A1TSHRIMPDH2
SCHEMBL1124861 0.81 HRH3 (0.36) ALDH1A1HTR1DHTR1B
SCHEMBL3125416 0.77 HTR1D (0.37) ALDH1A1HTR1DHTR1B
SCHEMBL2463078 0.77
SCHEMBL13263628 0.77 NPSR1 (0.42) ALDH1A1TSHRIMPDH2L3MBTL1PDE10A
SCHEMBL2470125 0.77 CYP3A4 (0.41) ALDH1A1
SCHEMBL2464817 0.77 P2RX7 (0.33) ALDH1A1TSHR
SCHEMBL21495042 0.76 HTR1D (0.50) ALDH1A1TSHRHTR1DHTR1B
SCHEMBL14993155 0.74 ALDH1A1 (0.40) ALDH1A1TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785714-A1 IMPROVED MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR Taivex Therapeutics Corporation (TW) 2014-10-08 EP disclosed
WO-2013082324-A1 IMPROVED MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORPORATION (TW) 2013-06-06 WO disclosed
EP-2547676-A2 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR Taivex Therapeutics Inc. (TW) 2013-01-23 EP disclosed
WO-2011115998-A2 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS INC. (CN) 2011-09-22 WO disclosed
WO-2010001220-A1 NEW 1,2,4-TRIAZINE DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF MUTABILIS SA (FR) 2010-01-07 WO disclosed