SCHEMBL9835557

SCHEMBL9835557

COc1cccc(N(F)C(=O)Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.48
MTNR1B P49286 11/20 0.48
HSD17B2 P37059 2/20 0.48
HSD17B1 P14061 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
PARP1 P09874 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL27662593 0.85 MTNR1A (0.54) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL27644903 0.85 MTNR1A (0.49) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL1012749 0.85 MTNR1A (0.51) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL9615375 0.83 MTNR1A (0.51) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL30743887 0.83 MTNR1A (0.50) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL9836772 0.81 MTNR1A (0.49) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL9956630 0.81 HSD17B2 (0.60) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL1119679 0.79 MEN1 (0.51) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL1779795 0.78 MTNR1A (0.44) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL9836083 0.77 RAB9A (0.44) HSD17B2HSD17B1PARP1ALDH1A1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 EP disclosed