SCHEMBL2780792

SCHEMBL2780792

Cc1ccc2cccc3c4cccc5cccc(c1c23)c54.NC(=O)NC(N)=O.NC(=O)NC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 4/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
PKM P14618 1/20 0.38
SCN2A Q99250 2/20 0.37
POLB P06746 2/20 0.37
GRIN2D O15399 1/20 0.35
GRIN3B O60391 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
SCHEMBL2332052 0.85 GAA (0.52) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL1128656 0.85 GAA (0.52) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL10885307 0.84 KDM4E (0.37) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL3173371 0.83 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10TSHRCYP3A4
Carbamic Acid SCHEMBL3399474 0.81 GAA (0.48) ALDH1A1HPGDHSD17B10CYP3A4CYP1A2
SCHEMBL2218415 0.81 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL9515080 0.81 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10TSHRCYP1A2
SCHEMBL28539886 0.81 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL11204484 0.78 GAA (0.42) ALDH1A1HPGDHSD17B10TDP1CYP1A2
Pyrene SCHEMBL27932533 0.77 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10TSHRCYP3A4

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
EP-2174329-A1 PHOTOVOLTAIC TANDEM CELL Basf Se (DE) 2010-04-14 EP disclosed
WO-2009013282-A1 PHOTOVOLTAIC TANDEM CELL BASF SE (DE) 2009-01-29 WO disclosed