SCHEMBL480174

SCHEMBL480174

COc1cncc(-c2ccc(C(C)(c3ccc(-c4noc(C5(N(C(=O)O)C(C)(C)C)CC5)n4)cn3)C(C)C)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.53
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CTPS1 P17812 1/20 0.33
TSHR P16473 1/20 0.33
KIT P10721 2/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
GSK3B P49841 2/20 0.31
DYRK1A Q13627 2/20 0.31
CYP1A2 P05177 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
KDR P35968 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
CDK7 P50613 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
SCHEMBL2794637 0.85 ALOX5AP (0.54) ALOX5APMKNK1MKNK2CTPS1TSHR
SCHEMBL480173 0.84 ALOX5AP (0.55) ALOX5APMKNK1MKNK2CTPS1KIT
SCHEMBL480283 0.82 ALOX5AP (0.55) ALOX5APMKNK1MKNK2CTPS1TSHR
SCHEMBL2796309 0.79 ALOX5AP (0.57) ALOX5APMKNK1MKNK2CTPS1TSHR
SCHEMBL480146 0.79 ALOX5AP (0.66) ALOX5APMKNK1MKNK2CTPS1CA2
SCHEMBL480247 0.79 ALOX5AP (0.66) ALOX5APMKNK1MKNK2CTPS1CA2
SCHEMBL480217 0.78 ALOX5AP (0.60) ALOX5APMKNK1MKNK2TSHRCA2
SCHEMBL480248 0.77 ALOX5AP (0.57) ALOX5APMKNK1MKNK2TSHR
SCHEMBL480250 0.77 ALOX5AP (0.58) ALOX5APMKNK1MKNK2CA2CA9
Hydrochloric Acid SCHEMBL480177 0.76 ALOX5AP (0.57) ALOX5APMKNK1MKNK2CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 EP claimed
EP-2064204-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) Merck & Co., Inc. (US) 2009-06-03 EP disclosed
WO-2008030369-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK & CO., INC. (US) 2008-03-13 WO disclosed