SCHEMBL480280

SCHEMBL480280

COc1cncc(-c2ccc(C(C)(c3ccc(-c4noc(-c5ccc(N6CCC(F)CC6)cc5)n4)cn3)C(C)C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.51
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TGFBR1 P36897 1/20 0.37
S1PR1 P21453 1/20 0.37
ACHE P22303 4/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL480279 0.89 ALOX5AP (0.49) ALOX5APCA2CA9S1PR1ACHE
SCHEMBL480391 0.85 ALOX5AP (0.53) ALOX5APACHENPC1MAPTRAB9A
SCHEMBL480157 0.82 ALOX5AP (0.53) ALOX5APNPC1MAPTRAB9A
SCHEMBL480225 0.82 ALOX5AP (0.53) ALOX5APNPC1MAPTRAB9A
SCHEMBL480274 0.81 ALOX5AP (0.51) ALOX5APNPC1MAPTRAB9A
SCHEMBL480260 0.79 ALOX5AP (0.53) ALOX5APNPC1MAPTRAB9A
SCHEMBL480250 0.79 ALOX5AP (0.58) ALOX5APCA2CA9S1PR1NPC1
SCHEMBL480146 0.79 ALOX5AP (0.66) ALOX5APCA2CA9NPC1MAPT
SCHEMBL480247 0.79 ALOX5AP (0.66) ALOX5APCA2CA9NPC1MAPT
SCHEMBL480195 0.78 ALOX5AP (0.52) ALOX5APNPC1MAPTRAB9A

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 1 patent. 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