SCHEMBL9943222

SCHEMBL9943222

Cn1ccc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cn4)CCC3)nc2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.39
HDAC1 Q13547 1/20 0.34
ABL1 P00519 1/20 0.34
PORCN Q9H237 1/20 0.34
GSK3B P49841 4/20 0.33
DYRK1A Q13627 4/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
IDO1 P14902 1/20 0.33
WNT1 P04628 2/20 0.33
WNT3A P56704 1/20 0.33
CTPS1 P17812 1/20 0.33

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
SCHEMBL14244005 0.87 ALOX5AP (0.51) ALOX5APABL1GSK3BDYRK1AWNT1
SCHEMBL9966224 0.77 ALOX5AP (0.49) ALOX5APABL1GSK3BDYRK1AIDO1
SCHEMBL9966483 0.73 ALOX5AP (0.42) ALOX5APALDH1A1IDO1
SCHEMBL14244265 0.73 ALDH1A1 (0.54) ALOX5APHDAC1ALDH1A1HTTIDO1
SCHEMBL9935698 0.72 ALDH1A1 (0.47) ALOX5APHDAC1ALDH1A1HTTIDO1
SCHEMBL9936886 0.72 IDO1 (0.48) ALOX5APHDAC1ALDH1A1HTTIDO1
SCHEMBL9966255 0.72 ABL1 (0.43) ALOX5APABL1ALDH1A1CTPS1
SCHEMBL9966521 0.72 IDO1 (0.43) ALOX5APHDAC1ALDH1A1HTTIDO1
SCHEMBL14325150 0.72 HDAC1 (0.46) ALOX5APHDAC1ALDH1A1HTTIDO1
SCHEMBL9936451 0.71 IDO1 (0.45) ALOX5APHDAC1ALDH1A1HTTIDO1

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-2651930-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2013-10-23 EP disclosed
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed