SCHEMBL480283

SCHEMBL480283

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.55
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CTPS1 P17812 1/20 0.35
TSHR P16473 1/20 0.35
HDAC6 Q9UBN7 7/20 0.34
HDAC1 Q13547 5/20 0.34
HDAC5 Q9UQL6 4/20 0.34
HDAC8 Q9BY41 4/20 0.34
HDAC4 P56524 5/20 0.34
MAP4K4 O95819 1/20 0.33
CDK7 P50613 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
SCHEMBL2796309 0.87 ALOX5AP (0.57) ALOX5APMKNK1MKNK2CTPS1TSHR
SCHEMBL480146 0.86 ALOX5AP (0.66) ALOX5APMKNK1MKNK2CTPS1HDAC6
SCHEMBL480247 0.86 ALOX5AP (0.66) ALOX5APMKNK1MKNK2CTPS1HDAC6
SCHEMBL10198941 0.84 ALOX5AP (0.55) ALOX5APMKNK1MKNK2CTPS1HDAC6
SCHEMBL480250 0.84 ALOX5AP (0.58) ALOX5APMKNK1MKNK2HDAC6HDAC1
Hydrochloric Acid SCHEMBL480177 0.83 ALOX5AP (0.57) ALOX5APMKNK1MKNK2HDAC6HDAC1
SCHEMBL480174 0.82 ALOX5AP (0.53) ALOX5APMKNK1MKNK2CTPS1TSHR
SCHEMBL480217 0.82 ALOX5AP (0.60) ALOX5APMKNK1MKNK2TSHRCA2
SCHEMBL2794637 0.80 ALOX5AP (0.54) ALOX5APMKNK1MKNK2CTPS1TSHR
SCHEMBL480248 0.79 ALOX5AP (0.57) ALOX5APMKNK1MKNK2TSHR

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-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 EP claimed
EP-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 EP disclosed