SCHEMBL8989945

SCHEMBL8989945

Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.56
THRB P10828 2/20 0.50
NPSR1 Q6W5P4 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
PSEN1 P49768 4/20 0.45
PSEN2 P49810 4/20 0.45
APH1B Q8WW43 4/20 0.45
NCSTN Q92542 4/20 0.45
APH1A Q96BI3 4/20 0.45
PSENEN Q9NZ42 4/20 0.45
PTGER1 P34995 2/20 0.44
HCRTR2 O43614 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD11B1 P28845 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL8989915 0.83 C5AR1 (0.51) C5AR1THRBMCOLN3KEAP1NFE2L2
SCHEMBL8989960 0.80 PSEN1 (0.50) C5AR1THRBNPSR1MCOLN3KEAP1
SCHEMBL28858222 0.79 PSEN1 (0.61) C5AR1THRBMCOLN3KEAP1NFE2L2
SCHEMBL8989952 0.76 MCOLN3 (0.50) C5AR1THRBMCOLN3KEAP1NFE2L2
SCHEMBL8989941 0.76 C5AR1 (0.53) C5AR1THRBMCOLN3PSEN1PSEN2
SCHEMBL8990081 0.75 C5AR1 (0.53) C5AR1THRBMCOLN3PSEN1PSEN2
SCHEMBL8989867 0.75 PKM (0.70) MCOLN3KEAP1NFE2L2HCRTR2MAPT
SCHEMBL30059657 0.73 PSEN1 (0.45) C5AR1THRBMCOLN3PSEN1PSEN2
SCHEMBL28927992 0.73 PSEN1 (0.45) C5AR1THRBMCOLN3PSEN1PSEN2
SCHEMBL14107556 0.73 FDFT1 (0.47) THRBNPSR1KEAP1NFE2L2TP53

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
US-5578633-A VASOPRESSIN AND OXYTOCIN ANTAGONISTS SANOFI (FR) 1996-11-26 US disclosed
US-5481005-A N-sulfonylindoline derivatives, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1996-01-02 US disclosed
US-5397801-A Affinity for vasopressin and ocytocin receptors; disorders of nervous, cardiovascular and gastrointestinal systems SANOFI (FR) 1995-03-14 US disclosed
US-5338755-A Have affinity for vasopressin and ocytocin receptors; intermediates for drugs that act on central nervous system ELF SANOFI (FR) 1994-08-16 US disclosed