SCHEMBL4952064

SCHEMBL4952064

Nc1cc2c(c(C(F)(F)F)c1)OCCNC2.O=S(=O)(Nc1cc2c(c(C(F)(F)F)c1)OCCNC2)c1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.39
FFAR1 O14842 2/20 0.39
PKM P14618 1/20 0.38
PGR P06401 1/20 0.35
BRD4 O60885 1/20 0.35
HSD17B2 P37059 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN5 P54829 1/20 0.35
MAPT P10636 1/20 0.33
SSTR4 P31391 1/20 0.33
HTR6 P50406 1/20 0.33
POLB P06746 1/20 0.33
PFKFB3 Q16875 1/20 0.33
PIK3CB P42338 1/20 0.33
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
PIM1 P11309 1/20 0.32
LTK P29376 1/20 0.32
KDR P35968 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
SCHEMBL3355362 0.95 PGR (0.39) FFAR4FFAR1PKMPGRBRD4
SCHEMBL3353767 0.84 MAPT (0.45) FFAR4FFAR1PKMPGRHSD17B2
SCHEMBL3353678 0.76 AR (0.33) SSTR4POLB
SCHEMBL3356064 0.75 SSTR4 (0.46) PGRPTPN2PTPN1PTPN5SSTR4
SCHEMBL3354028 0.75 SSTR4 (0.40) PGRSSTR4HTR6
SCHEMBL3353538 0.67 HTR6 (0.55) HTR6PFKFB3
SCHEMBL22455269 0.67 SLC22A12 (0.60) FFAR4FFAR1PKMPGRBRD4
SCHEMBL22441658 0.66 MAPT (0.57) FFAR4FFAR1PGRBRD4HSD17B2
SCHEMBL3358399 0.65 RORA (0.49) SSTR4PIK3CB
SCHEMBL28121844 0.64 PKM (0.72) PKMPGRBRD4HSD17B2PTPN2

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
EP-1910321-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER'S DISEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007004959-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER'S DISEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE ASTRAZENECA AB (SE) 2007-01-11 WO disclosed