SCHEMBL7670239

SCHEMBL7670239

NS(=O)(=O)CCCc1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
CA2 P00918 12/20 0.49
HTR2A P28223 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CA1 P00915 4/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
CA4 P22748 1/20 0.46
PTGES2 Q9H7Z7 2/20 0.45
POLB P06746 1/20 0.44
LIG1 P18858 1/20 0.44
GRK2 P25098 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
GPR35 Q9HC97 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CA7 P43166 1/20 0.41

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
SCHEMBL29046728 0.88 RECQL (0.64) RECQLCA2HTR2ATAAR1CA1
SCHEMBL24670084 0.82 CA2 (0.52) RECQLCA2CA1CA9CA12
SCHEMBL3140888 0.80 TAAR1 (0.43) CA2HTR2ATAAR1CA1CA9
SCHEMBL660034 0.80 RECQL (0.50) RECQLCA2TAAR1CA1CA9
SCHEMBL1793990 0.79 CA2 (0.72) RECQLCA2HTR2ACA1CA9
SCHEMBL29270369 0.78 TAAR1 (0.42) CA2HTR2ATAAR1CA1CA9
SCHEMBL4061411 0.78 CA2 (0.70) RECQLCA2HTR2ACA1CA9
SCHEMBL5515360 0.76 HRH1 (0.52) RECQLCA2CA1SMN1; SMN2CA7
SCHEMBL18063459 0.76 CA2 (0.53) CA2HTR2ATAAR1CA1CA9
SCHEMBL2093098 0.76 CA1 (0.58) CA2TAAR1CA1CA9CA12

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-2951170-A2 FLAP MODULATORS Janssen Pharmaceutica, N.V. (BE) 2015-12-09 EP disclosed
WO-2014121055-A2 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-07 WO disclosed
US-6500865-B1 POTENTIATING GLUTAMATE RECEPTORS BY ADMINISTERING N-1-(4-(4-(2-METHANESULFONAMIDO ETHYL)PHENY)PHENYL)ETHYL 2-PROPANE SULFONAMIDE FOR LEARNING ENHANCEMENT AND PROPHYLAXIS OF NEURODEGENERATIVE DISORDERS, PSYCHOSIS OR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY 2002-12-31 US disclosed
WO-2000006083-A2 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed