SCHEMBL25586113

SCHEMBL25586113

CN/N=C\C(C)(C)NCC(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.37
RECQL P46063 1/20 0.36
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TSHR P16473 4/20 0.32
BIRC2 Q13490 1/20 0.31
HSD17B10 Q99714 2/20 0.31
GAA P10253 2/20 0.30
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
EPHX2 P34913 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL15450547 0.81 TET2 (0.39) TET2RECQLCA12CA2CA14
SCHEMBL13028087 0.81 TET2 (0.39) TET2RECQLCA12CA2CA14
SCHEMBL3267023 0.75 TET2 (0.43) TET2RECQLCA12CA2CA14
SCHEMBL21129653 0.70 TET2 (0.46) TET2RECQLCA12CA2CA14
SCHEMBL757885 0.69 TET2 (0.50) TET2RECQLCA12CA2CA14
Hydrochloric Acid SCHEMBL344744 0.68 TET2 (0.48) TET2RECQLCA12CA2CA14
SCHEMBL16532927 0.66 TET2 (0.46) TET2RECQLCA12CA2CA14
SCHEMBL23009996 0.66 TSHR (0.48) TET2RECQLCA12CA2CA14
SCHEMBL15621164 0.65 TET2 (0.45) TET2RECQLCA12CA2CA14
SCHEMBL17125032 0.65 TET2 (0.45) TET2RECQLCA12CA2CA14

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-2023096928-A1 HETERO-ATOM CONTAINING COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-06-01 WO disclosed