SCHEMBL8317304

SCHEMBL8317304

CC(C)N1Cc2cc(C(F)(F)F)ccc2NS1(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.37
HSD17B3 P37058 1/20 0.37
HRH4 Q9H3N8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NOTUM Q6P988 1/20 0.35
BRD4 O60885 1/20 0.34
TDP2 O95551 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACACB O00763 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
IDH1 O75874 1/20 0.33
SLC6A9 P48067 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
FPR2 P25090 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL8312887 0.75 PNMT (0.40) DPP7ALDH1A1
SCHEMBL6984270 0.74 ALDH1A1 (0.42) ALDH1A1BRD4CA1CA2ACACB
SCHEMBL22326600 0.70 TDP2 (0.41) HRH4TDP2CA1CA2
SCHEMBL11644407 0.68 KDM4E (0.59) HRH4ALDH1A1TDP2HTR2AHTR2C
SCHEMBL27394981 0.67 BRD4 (0.62) BRD4
SCHEMBL13938028 0.65 TMEM97 (0.54) DPP7HSD17B3ALDH1A1NOTUMTDP2
SCHEMBL8317166 0.65 KDM4E (0.39) DPP7NOTUMTMEM97SIGMAR1KCNH2
SCHEMBL23745228 0.63 DPP7 (0.68) DPP7NOTUMACACBTMEM97SIGMAR1
SCHEMBL2056192 0.62 DPP7 (0.47) DPP7ALDH1A1NOTUMTDP2TMEM97
SCHEMBL11484538 0.61 TDP2 (0.42) BRD4TDP2

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-5929072-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1999-07-27 US disclosed
EP-0897921-A1 Benzothiadiazinyl-indole derivatives and their use as serotonin receptor ligands ELI LILLY AND COMPANY LIMITED (GB) 1999-02-24 EP disclosed