SCHEMBL23284012

SCHEMBL23284012

CCC(=O)Cc1nncs1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
PKM P14618 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL25006980 0.85 POLB (0.35) POLBSMN1; SMN2GAAKMT2AESR2
SCHEMBL8354009 0.77 SMN1; SMN2 (0.47) POLBSMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL10934685 0.76
SCHEMBL15965530 0.73 MAPT (0.37) POLBSMN1; SMN2GAAKMT2AESR2
SCHEMBL1398316 0.68 ADAMTS5 (0.42) POLBSMN1; SMN2KMT2AALDH1A1L3MBTL1
SCHEMBL7993528 0.68
SCHEMBL507597 0.68
SCHEMBL16887640 0.65 RAB9A (0.40) SMN1; SMN2TDP1LMNA
SCHEMBL3142222 0.63
SCHEMBL12883290 0.60 SMN1; SMN2 (0.55) POLBSMN1; SMN2GAAKMT2ATDP1

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-2021078174-A1 CHIRAL SULFUR OXIDE-CONTAINING ARYL FORMAMIDE COMPOUND AND SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION, AND APPLICATION 青岛清原化合物有限公司 2021-04-29 WO disclosed