SCHEMBL14306372

SCHEMBL14306372

CN1CC2CN(S(C)(=O)=O)CC2C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.33
TP53 P04637 1/20 0.32
ACHE P22303 1/20 0.31
TSHR P16473 1/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL12620725 0.81 TSHR (0.45) TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL14306357 0.77 PAX8 (0.32) PAX8TP53ACHETSHR
SCHEMBL10268170 0.77 GBA1 (0.36) CYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL23267575 0.76 CHRNA7 (0.33)
SCHEMBL13849461 0.76 CHRNA7 (0.33)
SCHEMBL2271063 0.76 CHRNA7 (0.33)
SCHEMBL22273332 0.75 HSD11B1 (0.46) PAX8TP53ACHETSHRCYP2D6
SCHEMBL21287906 0.75 ATM (0.36) PAX8TP53
SCHEMBL16512308 0.74 ACHE (0.41) PAX8TP53ACHETSHRSMN1; SMN2
SCHEMBL15871709 0.73 CYP2D6 (0.35) PAX8CYP2D6SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020154683-A1 METHODS OF TREATING DISEASE WITH MAGL INHIBITORS LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-07-30 WO disclosed
WO-2012171863-A1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 WO disclosed