SCHEMBL28698644

SCHEMBL28698644

CC(C)(C)OC(=O)N1CC(S)C1.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.53
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
NAMPT P43490 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
RORC P51449 1/20 0.40
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL970631 0.98 NR1H2 (0.54) NR1H2USP2SMN1; SMN2HPGDRECQL
SCHEMBL18549298 0.98 NR1H2 (0.54) NR1H2USP2SMN1; SMN2HPGDRECQL
SCHEMBL1334462 0.83 HPGD (0.51) NR1H2USP2SMN1; SMN2HPGDRECQL
SCHEMBL1335011 0.83 HPGD (0.51) NR1H2USP2SMN1; SMN2HPGDRECQL
SCHEMBL1334464 0.83 HPGD (0.51) NR1H2USP2SMN1; SMN2HPGDRECQL
SCHEMBL31309329 0.83 NR1H2 (0.49) NR1H2USP2SMN1; SMN2HPGDRECQL
SCHEMBL30059634 0.82 NR1H2 (0.54) NR1H2USP2SMN1; SMN2HPGDRECQL
SCHEMBL16759817 0.81 NR1H2 (0.58) NR1H2USP2SMN1; SMN2HPGDRECQL
SCHEMBL15764147 0.81 NR1H2 (0.58) NR1H2USP2SMN1; SMN2HPGDRECQL
SCHEMBL15764146 0.81 NR1H2 (0.58) NR1H2USP2SMN1; SMN2HPGDRECQL

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
CN-114072395-A Heterocyclic compounds and their use for treating helminth infections and diseases 新基公司 2022-02-18 CN disclosed