Sugi Predict

Sugi Predict / Compounds / SCHEMBL9942709

SCHEMBL9942709

SCHEMBL9942709

CS(=O)(=O)c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)cc1.Cc1cc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cc(C(=O)O)c1O.N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 14/20 0.43
▸ TTK P33981 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ CSF1R P07333 1/20 0.34

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
SCHEMBL9966342 0.81 ALOX5AP (0.56) ALOX5APALDH1A1GAA
SCHEMBL9966343 0.80 ALOX5AP (0.44) ALOX5AP
SCHEMBL9966238 0.79 GAA (0.50) ALOX5APTTKALDH1A1GAA
SCHEMBL9966321 0.78 HDAC1 (0.46) ALOX5APGAA
SCHEMBL14313992 0.76 ALOX5AP (0.41) ALOX5AP
SCHEMBL14315743 0.73 IDO1 (0.42) ALOX5AP
SCHEMBL9966250 0.72 HDAC1 (0.43) ALOX5APGAA
SCHEMBL9966469 0.71 ALOX5AP (0.42) ALOX5AP
SCHEMBL14315778 0.71 ALOX5AP (0.44) ALOX5AP
SCHEMBL9966431 0.70 GAA (0.47) ALOX5APALDH1A1GAA

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