SCHEMBL28833744

SCHEMBL28833744

O=C(O)c1cc2ccsc2n1CC1CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 7/20 0.44
TSHR P16473 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.38
LMNA P02545 1/20 0.38
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NOTUM Q6P988 1/20 0.37
FDPS P14324 1/20 0.36
MEN1 O00255 1/20 0.35
ESR1 P03372 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL28538325 0.94 NOTUM (0.41) FEN1TSHRL3MBTL1LMNAKDM1A
SCHEMBL21295047 0.83 TSHR (0.49) TSHRL3MBTL1LMNAPOLBMAPT
SCHEMBL21295048 0.78 FEN1 (0.36) FEN1TSHRL3MBTL1LMNA
SCHEMBL21295089 0.78 FEN1 (0.36) FEN1TSHRL3MBTL1LMNATP53
SCHEMBL21295072 0.77 TSHR (0.48) TSHRL3MBTL1LMNAPOLBMAPT
SCHEMBL2330722 0.77 GPR35 (0.50) TSHRL3MBTL1LMNAKDM1ARCOR1
SCHEMBL2331226 0.74 KDM1A (0.47) TSHRL3MBTL1LMNAKDM1ARCOR1
SCHEMBL28833751 0.73 L3MBTL1 (0.43) TSHRL3MBTL1LMNAKDM1ARCOR1
SCHEMBL21295057 0.73 TSHR (0.33) FEN1TSHRL3MBTL1LMNAMAPT
SCHEMBL22855746 0.73 TSHR (0.36) FEN1TSHRL3MBTL1LMNAPOLB

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-110194770-B Peptidyl arginine deiminase inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-08-09 CN disclosed