SCHEMBL9770876

SCHEMBL9770876

CCOC(=O)c1cc(N=c2sc(=S)n3n2CCC=C3)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
GUSB P08236 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
CYP4F2 P78329 1/20 0.32

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
SCHEMBL9770887 0.90 BAZ2B (0.37) BAZ2BBAZ2AALDH1A1HPGDHSD17B10
SCHEMBL9770889 0.84 ALDH1A1 (0.34) ALDH1A1HPGDALOX15HSD17B10TSHR
SCHEMBL9764435 0.79 BAZ2B (0.39) BAZ2BBAZ2AALDH1A1HPGDTHRB
SCHEMBL9764431 0.79 BAZ2B (0.39) BAZ2BBAZ2AALDH1A1HPGDTHRB
SCHEMBL9771013 0.79 POLB (0.33) ALDH1A1GAA
SCHEMBL9770916 0.79 PPOX (0.34)
SCHEMBL9770849 0.78 PPOX (0.33) GAA
SCHEMBL9824599 0.77 ALDH1A1 (0.37) ALDH1A1HPGDALOX15HSD17B10TSHR
SCHEMBL9824591 0.77 ALDH1A1 (0.37) ALDH1A1HPGDALOX15HSD17B10TSHR
SCHEMBL9770986 0.74 ALDH1A1 (0.34) ALDH1A1HPGDALOX15HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039331-A Condensed heterocyclic derivatives and herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-13 US claimed
EP-0304920-A2 Condensed heterocyclic derivatives, process for their production and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-03-01 EP claimed