SCHEMBL8280863

SCHEMBL8280863

CN1CCC[C@H](NS(C)(=O)=O)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
KAT2B Q92831 11/20 0.39
BPTF Q12830 1/20 0.39
ALDH1A1 P00352 2/20 0.36
AKT1 P31749 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KDM4E B2RXH2 1/20 0.33
BTK Q06187 1/20 0.33

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
SCHEMBL2743217 1.00 EPHX2 (0.43) EPHX2KAT2BBPTFALDH1A1AKT1
SCHEMBL24314234 1.00 EPHX2 (0.43) EPHX2KAT2BBPTFALDH1A1AKT1
SCHEMBL799022 0.88 AKT1 (0.39) EPHX2KAT2BAKT1
SCHEMBL799377 0.88 AKT1 (0.39) EPHX2KAT2BAKT1
SCHEMBL799561 0.88 AKT1 (0.39) EPHX2KAT2BAKT1
SCHEMBL18912347 0.83 CA1 (0.53) KAT2BBPTFCA12CA1CA7
SCHEMBL8280859 0.81 KAT2B (0.38) KAT2BBPTF
SCHEMBL26727078 0.81 KAT2B (0.38) KAT2BBPTFALDH1A1CA12CA1
SCHEMBL8280865 0.81 KAT2B (0.35) EPHX2KAT2BBPTFALDH1A1
SCHEMBL21422792 0.79 EPHX2 (0.42) EPHX2ALDH1A1AKT1CA12CA1

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
WO-2005080389-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-09-01 WO disclosed