SCHEMBL13613436

SCHEMBL13613436

CC(C)S(=O)(=O)c1ccccc1C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 4/20 0.44
NR1H2 P55055 4/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HCRTR2 O43614 1/20 0.42
RIPK1 Q13546 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
NR1H3 Q13133 3/20 0.41
UCHL1 P09936 1/20 0.41

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
SCHEMBL2916156 0.85 RIPK1 (0.45) LMNARIPK1
SCHEMBL2910772 0.84 MEN1 (0.43) MEN1KMT2ATSHRNR1H2LMNA
SCHEMBL2910770 0.84 MEN1 (0.43) MEN1KMT2ATSHRNR1H2LMNA
SCHEMBL2914617 0.84 MEN1 (0.43) MEN1KMT2ATSHRNR1H2LMNA
SCHEMBL23064495 0.82 RIPK1 (0.44) MEN1KMT2ATSHRNR1H2LMNA
SCHEMBL26838484 0.82 RIPK1 (0.44) MEN1KMT2ATSHRNR1H2LMNA
SCHEMBL20170496 0.81 HSP90AA1 (0.56) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL22165572 0.80 RIPK1 (0.47) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL23579324 0.80 RIPK1 (0.47) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL29748129 0.80 RIPK1 (0.47) MEN1KMT2ATSHRLMNAALDH1A1

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
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed