SCHEMBL20157486

SCHEMBL20157486

CC(C)N1CCN(c2ccccc2S(N)(=O)=O)C[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.41
CA12 O43570 12/20 0.41
CA9 Q16790 12/20 0.41
CA7 P43166 4/20 0.41
CA1 P00915 12/20 0.39
DRD2 P14416 1/20 0.36
HSD11B1 P28845 2/20 0.35
BRD4 O60885 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 1/20 0.33
HTR6 P50406 1/20 0.33
CA4 P22748 3/20 0.33
CA6 P23280 3/20 0.33
CA5A P35218 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CA3 P07451 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
SCHEMBL30772256 0.79 GAA (0.51) BRD4SMARCA2SMARCA4PBRM1GAA
SCHEMBL27195862 0.79 GAA (0.51) BRD4SMARCA2SMARCA4PBRM1GAA
SCHEMBL25809466 0.77 CA2 (0.47) CA2CA12CA9CA7CA1
SCHEMBL20129650 0.74 CA2 (0.43) CA2CA12CA9CA7CA1
SCHEMBL31321262 0.74 KMT2A (0.51) HSD11B1ALDH1A1GAASMN1; SMN2
SCHEMBL8261936 0.73 GAA (0.58) CA2CA12CA9CA7CA1
SCHEMBL17897242 0.72 KDM4E (0.41) DRD2ALDH1A1SMN1; SMN2
SCHEMBL17897247 0.72 KDM4E (0.41) DRD2ALDH1A1SMN1; SMN2
SCHEMBL19003675 0.72 KDM4E (0.41) DRD2ALDH1A1SMN1; SMN2
SCHEMBL4059759 0.70 CA2 (0.50) CA2CA12CA9CA7CA1

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed