SCHEMBL2824173

SCHEMBL2824173

Brc1cccc(I)c1OC1CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AHR P35869 1/20 0.31
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL24697655 0.77 SLC6A2 (0.46) HTR1ASLC6A2SLC6A3
SCHEMBL9148305 0.76
SCHEMBL2828716 0.73 HTR1A (0.36) HTR1ASLC6A2SLC6A3
SCHEMBL22664822 0.71 NQO2 (0.39) KMT2AMEN1MAPK1
SCHEMBL16334980 0.70 SLC6A2 (0.44) KMT2ATHRATHRBMEN1LMNA
SCHEMBL31535455 0.70 SLC6A2 (0.44) KMT2ATHRATHRBHTR1ASLC6A2
SCHEMBL2404772 0.67 HRH1 (0.43) KMT2ALMNAHTR1ASLC6A2SLC6A3
SCHEMBL14915542 0.67 HRH1 (0.43) HTR1ASLC6A2SLC6A3
SCHEMBL31652114 0.67 HRH1 (0.43) KMT2ALMNAHTR1ASLC6A2SLC6A3
SCHEMBL737295 0.67 MEN1 (0.32) KMT2AMEN1

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-2178840-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall, S.A. (ES) 2010-04-28 EP disclosed
WO-2009021696-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-02-19 WO disclosed