SCHEMBL379646

SCHEMBL379646

CCCC(C(N)=O)N(CC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
GLA P06280 1/20 0.43
TP53 P04637 3/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL375537 0.85 NR1H2 (0.42) ALDH1A1TSHRGLANR1H2NR1H3
SCHEMBL28092851 0.84 ALDH1A1 (0.43) ALDH1A1TSHRGLATP53LMNA
Hydrochloric Acid SCHEMBL374900 0.84 NR1H2 (0.41) ALDH1A1TSHRGLANR1H2NR1H3
SCHEMBL18203139 0.80 NR1H2 (0.43) ALDH1A1TSHRGLASMN1; SMN2NR1H2
SCHEMBL4667661 0.78 ALDH1A1 (0.47) ALDH1A1TSHRGLATP53LMNA
SCHEMBL28292699 0.77 ALDH1A1 (0.41) ALDH1A1TSHRGLATP53LMNA
SCHEMBL11763140 0.77 ALDH1A1 (0.46) ALDH1A1TSHRGLATP53LMNA
SCHEMBL9324872 0.76 TSHR (0.48) ALDH1A1TSHRGLATP53LMNA
SCHEMBL2163020 0.75 GPR88 (0.44) ALDH1A1SMN1; SMN2MAPT
SCHEMBL30401308 0.75 TSHR (0.47) ALDH1A1TSHRGLATP53LMNA

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-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
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