SCHEMBL10947337

SCHEMBL10947337

CN(C(=O)S)c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
ALPG P10696 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP1 P09874 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
KDM4E B2RXH2 1/20 0.39
RIPK1 Q13546 1/20 0.38
CLK1 P49759 1/20 0.38

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
SCHEMBL2378380 0.83 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1LMNAMEN1
SCHEMBL1400933 0.83 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1LMNAMEN1
SCHEMBL11541741 0.81 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1LMNAMEN1
SCHEMBL10939446 0.81 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL10945242 0.79 HSD17B1 (0.55) LMNAMAPTTDP1SIGMAR1KDM4E
SCHEMBL31222334 0.79 RIPK1 (0.46) MTNR1AMTNR1BALDH1A1LMNAMEN1
SCHEMBL11340728 0.79 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1LMNAMEN1
SCHEMBL10940408 0.78 CES2 (0.42) ALDH1A1MAPTPARP1KDM4ERIPK1
SCHEMBL10942168 0.78 HTR3E (0.59) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL7983296 0.77 RIPK1 (0.41) MTNR1AMTNR1BALDH1A1LMNAMEN1

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-4554015-A THIOCARBAMATES TOYO SODA MANUFACTURING CO., LTD. (JP) 1985-11-19 US disclosed