SCHEMBL375591

SCHEMBL375591

CCN(c1ccccc1)C(C#N)CCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.40
NR1H3 Q13133 14/20 0.40
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 2/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL11704959 0.82 MAPT (0.40) NR1H2NR1H3MAPTTP53CRHBP
SCHEMBL28458344 0.74 MAPT (0.42) NR1H2NR1H3MAPTTP53CRHBP
SCHEMBL6675337 0.73 MAPT (0.41) NR1H2NR1H3MAPTTP53CRHBP
SCHEMBL375537 0.72 NR1H2 (0.42) NR1H2NR1H3ALDH1A1TSHRGLA
SCHEMBL2035269 0.71 NR1H2 (0.45) NR1H2NR1H3MAPTTP53ALDH1A1
Hydrochloric Acid SCHEMBL374900 0.71 NR1H2 (0.41) NR1H2NR1H3ALDH1A1TSHRGLA
SCHEMBL151404 0.70 MAPT (0.37) NR1H2NR1H3MAPTTP53CRHBP
SCHEMBL2566392 0.68 AOC3 (0.37) MAPTTP53CRHBPCRHR2NPSR1
SCHEMBL26088406 0.68 TSHR (0.47) NR1H2NR1H3MAPTTP53ALDH1A1
SCHEMBL2566542 0.67 TSHR (0.38) MAPTTP53CRHBPCRHR2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408760-A1 THIOPHENYL SULFONAMIDES FOR THE TREATMENT OF ALZHEIMER'S DISEASE Bristol-Myers Squibb Company (US) 2012-01-25 EP disclosed
EP-2408450-A1 A NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION Bristol-Myers Squibb Company (US) 2012-01-25 EP disclosed
EP-2408757-A1 NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUNDS INCORPORATING DEUTERIUM AS INHIBITORS OF BETA AMYLOID PEPTIDE PRODUCTION A NOVEL ALPHA-(N-SULFONAMIDO) ACETAMIDE COMPOUND INCORPORATING DEUTERIUM AS INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION Bristol-Myers Squibb Company (US) 2012-01-25 EP disclosed
WO-2010107435-A1 A NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-23 WO disclosed
WO-2010107997-A1 THIOPHENYL SULFONAMIDES FOR THE TREATMENT OF ALZHEIMER'S DISEASE BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-23 WO disclosed
WO-2010107984-A1 NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUNDS INCORPORATING DEUTERIUM AS INHIBITORS OF BETA AMYLOID PEPTIDE PRODUCTION A NOVEL ALPHA-(N-SULFONAMIDO) ACETAMIDE COMPOUND INCORPORATING DEUTERIUM AS INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-23 WO disclosed
EP-2205575-A1 A NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION Bristol-Myers Squibb Company (US) 2010-07-14 EP disclosed
WO-2009058552-A1 A NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-07 WO disclosed