SCHEMBL11630438

SCHEMBL11630438

O=C(O)CNC(=O)Cc1ccsc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
POLB P06746 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
KMT2A Q03164 2/20 0.46
GLS O94925 1/20 0.46
MEN1 O00255 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44

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
SCHEMBL7263581 0.81 ATM (0.65) TDP1POLBRAB9ANPC1L3MBTL1
SCHEMBL259981 0.81 TDP1 (0.52) TDP1POLBRAB9ANPC1L3MBTL1
SCHEMBL12846059 0.81 TDP1 (0.56) TDP1POLBRAB9ANPC1LMNA
SCHEMBL9558612 0.80 TDP1 (0.63) TDP1POLBRAB9ANPC1L3MBTL1
SCHEMBL7271626 0.79 POLB (0.54) TDP1POLBRAB9ANPC1L3MBTL1
SCHEMBL351615 0.79
SCHEMBL7262989 0.79 ATM (0.57) TDP1POLBRAB9ANPC1LMNA
SCHEMBL10288965 0.78 TDP1 (0.53) TDP1POLBRAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL8437714 0.77 AKR1B1 (0.48) TDP1POLBRAB9ANPC1L3MBTL1
SCHEMBL28636520 0.77 AKR1B1 (0.48) TDP1POLBRAB9ANPC1L3MBTL1

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
US-4086423-A CEPHALOSPORINS, CYCLOADDITION OF GLYCINE DERIVATIVE TO THIAZINE COMPOUND MERCK & CO., INC. (US) 1978-04-25 US disclosed