SCHEMBL14920104

SCHEMBL14920104

CC(C)(C)OC(=O)Nc1nc2ccc(Br)cc2n1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
LCK P06239 5/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCL2 P10415 3/20 0.36
BECN1 Q14457 3/20 0.36
BRD4 O60885 2/20 0.36
EGFR P00533 1/20 0.36
RAF1 P04049 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
AURKB Q96GD4 1/20 0.36
BACE1 P56817 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6302571 0.83 TSHR (0.50) ACSS2RAB9ANPC1SMN1; SMN2BRD4
SCHEMBL27851953 0.75 L3MBTL1 (0.35) ACSS2RAB9ANPC1SMN1; SMN2EGFR
SCHEMBL12158 0.74 USP30 (0.39) RAB9ANPC1SMN1; SMN2BACE1MEN1
SCHEMBL30847402 0.74 USP30 (0.39) RAB9ANPC1SMN1; SMN2BACE1MEN1
SCHEMBL28680201 0.73 TSHR (0.50) ACSS2RAB9ANPC1SMN1; SMN2BRD4
SCHEMBL2724339 0.73 NR1H2 (0.40) RAB9ANPC1SMN1; SMN2BACE1MEN1
SCHEMBL482029 0.72 MAPT (0.46) NPC1SMN1; SMN2MEN1GAAKMT2A
SCHEMBL12567166 0.71 SORT1 (0.43) LCKRAB9ANPC1RECQLSMN1; SMN2
SCHEMBL482136 0.71 BACE1 (0.40) RAB9ANPC1SMN1; SMN2BACE1MEN1
SCHEMBL32671905 0.71 TSHR (0.55) ACSS2RAB9ANPC1BRD4MEN1

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-2773641-A1 BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2014-09-10 EP disclosed
WO-2013064984-A1 BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2013-05-10 WO disclosed