SCHEMBL13613628

SCHEMBL13613628

CCOC(=O)[C@H]1CCN[C@H]1c1ccccc1S(=O)(=O)CC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A4 P31645 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
NR1D1 P20393 1/20 0.37
CYP2C19 P33261 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
HTR6 P50406 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
SCHEMBL8263932 0.88 PKM (0.44) PKMMAPTMEN1KMT2ASLC6A2
SCHEMBL8226803 0.88 PKM (0.44) PKMMAPTMEN1KMT2ASLC6A2
SCHEMBL8221416 0.88 PKM (0.44) PKMMAPTMEN1KMT2ASLC6A2
SCHEMBL8225004 0.88 PKM (0.44) PKMMAPTMEN1KMT2ASLC6A2
SCHEMBL8226571 0.88 PKM (0.44) PKMMAPTMEN1KMT2ASLC6A2
SCHEMBL11347961 0.87 PKM (0.43) PKMMAPTMEN1KMT2ASLC6A2
SCHEMBL11347964 0.87 PKM (0.43) PKMMAPTMEN1KMT2ASLC6A2
SCHEMBL13613727 0.87 PKM (0.43) PKMMAPTMEN1KMT2ASLC6A2
SCHEMBL2941476 0.85 SLC1A2 (0.35) PKMMAPTSLC6A2NPSR1CYP2C19
Hydrochloric Acid SCHEMBL2914109 0.84 TSHR (0.36) PKMMAPTKMT2ASLC6A2SLC6A3

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